CAS RN: 20633-93-6
CAS Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-7-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C28H32O14
MOLECULAR WEIGHT: 592.54528
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Structure:
CAS RN: 27542-37-6
CAS Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-8-[(2S,3R)-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H20O10
MOLECULAR WEIGHT: 540.4738
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O
Structure:
CAS RN: 183747-17-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H10Cl2N4O3
MOLECULAR WEIGHT: 437.2351
SMILES: C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NC=O)C6=C(N4)C(=CC=C6)Cl
Structure:
CAS RN: 183747-16-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H10Cl2N4O2
MOLECULAR WEIGHT: 409.225
SMILES: C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)N)C6=C(N4)C(=CC=C6)Cl
Structure:
CAS RN: 183747-15-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14N6O3
MOLECULAR WEIGHT: 398.37426
SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6NC5=C3N2)C(=O)N(C4=O)NC(=O)NN
Structure:
CAS RN: 145031-51-2
CAS Name: (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid methyl ester
OPENEYE Name: methyl (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-5-(4-hydroxyphenyl)pentanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoate
IUPAC Name: methyl (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]propanoyl]amino]-6-methylheptanoate
SYSTEMATIC NAME: methyl (3S)-4-[[(2S)-2-[[(3S,4S)-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-pentanoyl]amino]propanoyl]amino]-6-methyl-3-oxidanyl-heptanoate
MOLECULAR FORMULA: C45H61N5O12
MOLECULAR WEIGHT: 863.99214
SMILES: C[C@@H](C(=O)NC(CC(C)C)[C@H](CC(=O)OC)O)NC(=O)C[C@@H]([C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)O
Structure:
CAS RN: 150592-14-6
CAS Name: [(3S)-4-[[(3R,4R,5R)-1-cyclohexyl-3,4-dihydroxy-5-[[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-oxomethyl]-6-methylheptan-2-yl]amino]-3-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
OPENEYE Name: [(2S)-3-[[(2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-4-[[(2R)-2-hydroxyindan-1-yl]carbamoyl]-5-methyl-hexyl]amino]-1-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]-3-oxo-propyl] dihydrogen phosphate
IUPAC Name: [(3S)-4-[[(3R,4R,5R)-1-cyclohexyl-3,4-dihydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-6-methylheptan-2-yl]amino]-3-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S)-4-[[(3R,4R,5R)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)-5-[[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]heptan-2-yl]amino]-3-(2-naphthalen-1-yloxyethanoylamino)-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C40H54N3O11P
MOLECULAR WEIGHT: 783.844021
SMILES: CC(C)[C@H]([C@H]([C@@H](C(CC1CCCCC1)NC(=O)[C@H](C(C)OP(=O)(O)O)NC(=O)COC2=CC=CC3=CC=CC=C32)O)O)C(=O)NC4[C@@H](CC5=CC=CC=C45)O
Structure:
CAS RN: 146394-65-2
CAS Name: [(3S)-4-[[(3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[[(3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]amino]-oxomethyl]heptan-2-yl]amino]-3-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
OPENEYE Name: [(2S)-3-[[(2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-[[(2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]carbamoyl]hexyl]amino]-1-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]-3-oxo-propyl] dihydrogen phosphate
IUPAC Name: [(3S)-4-[[(3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[(3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]amino]-3-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S)-4-[[(3S,5S)-1-cyclohexyl-6-methyl-5-[[(3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]-3-oxidanyl-heptan-2-yl]amino]-3-(2-naphthalen-1-yloxyethanoylamino)-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C43H62N5O10P
MOLECULAR WEIGHT: 839.953641
SMILES: CC[C@H](C)C(C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H](C(CC2CCCCC2)NC(=O)[C@H](C(C)OP(=O)(O)O)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(C)C
Structure:
CAS RN: 146394-70-9
CAS Name: [(2S)-3-[[(3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[[(3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]amino]-oxomethyl]heptan-2-yl]amino]-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-3-oxopropyl] dihydrogen phosphate
OPENEYE Name: [(2S)-3-[[(2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-[[(2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]carbamoyl]hexyl]amino]-2-[[2-(1-naphthyloxy)acetyl]amino]-3-oxo-propyl] dihydrogen phosphate
IUPAC Name: [(2S)-3-[[(3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[(3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]amino]-2-[(2-naphthalen-1-yloxyacetyl)amino]-3-oxopropyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S)-3-[[(3S,5S)-1-cyclohexyl-6-methyl-5-[[(3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]-3-oxidanyl-heptan-2-yl]amino]-2-(2-naphthalen-1-yloxyethanoylamino)-3-oxidanylidene-propyl] dihydrogen phosphate
MOLECULAR FORMULA: C42H60N5O10P
MOLECULAR WEIGHT: 825.927061
SMILES: CC[C@H](C)C(C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H](C(CC2CCCCC2)NC(=O)[C@H](COP(=O)(O)O)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(C)C
Structure:
CAS RN: 146363-86-2
CAS Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-2-isopropyl-hexanamide
IUPAC Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R)-6-cyclohexyl-5-[[(2S)-2-(2-naphthalen-1-yloxyethanoylamino)-3-oxidanyl-butanoyl]amino]-3,4-bis(oxidanyl)-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C40H53N3O8
MOLECULAR WEIGHT: 703.86412
SMILES: CC(C)[C@H]([C@H]([C@@H](C(CC1CCCCC1)NC(=O)[C@H](C(C)O)NC(=O)COC2=CC=CC3=CC=CC=C32)O)O)C(=O)NC4[C@@H](CC5=CC=CC=C45)O
Structure:
CAS RN: 146363-87-3
CAS Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-hexanamide
IUPAC Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R)-6-cyclohexyl-5-[[(2S)-2-(2-naphthalen-1-yloxyethanoylamino)-3-oxidanyl-propanoyl]amino]-3,4-bis(oxidanyl)-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C39H51N3O8
MOLECULAR WEIGHT: 689.83754
SMILES: CC(C)[C@H]([C@H]([C@@H](C(CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COC2=CC=CC3=CC=CC=C32)O)O)C(=O)NC4[C@@H](CC5=CC=CC=C45)O
Structure:
CAS RN: 146363-82-8
CAS Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-hexanamide
IUPAC Name: (2R,3R,4R)-6-cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R)-6-cyclohexyl-5-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-naphthalen-1-yloxyethanoylamino)propanoyl]amino]-3,4-bis(oxidanyl)-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C42H53N5O7
MOLECULAR WEIGHT: 739.89952
SMILES: CC(C)[C@H]([C@H]([C@@H](C(CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)COC3=CC=CC4=CC=CC=C43)O)O)C(=O)NC5[C@@H](CC6=CC=CC=C56)O
Structure:
CAS RN: 146363-75-9
CAS Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-N-[(3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-2-isopropyl-N-[(2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-N-[(3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2S,4S)-6-cyclohexyl-N-[(3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-5-[[(2S)-2-(2-naphthalen-1-yloxyethanoylamino)-3-oxidanyl-butanoyl]amino]-4-oxidanyl-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C43H61N5O7
MOLECULAR WEIGHT: 759.97374
SMILES: CC[C@H](C)C(C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H](C(CC2CCCCC2)NC(=O)[C@H](C(C)O)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(C)C
Structure:
CAS RN: 146363-76-0
CAS Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopropyl]amino]-N-[(3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-N-[(2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2S,4S)-6-cyclohexyl-N-[(3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-5-[[(2S)-2-(2-naphthalen-1-yloxyethanoylamino)-3-oxidanyl-propanoyl]amino]-4-oxidanyl-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C42H59N5O7
MOLECULAR WEIGHT: 745.94716
SMILES: CC[C@H](C)C(C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H](C(CC2CCCCC2)NC(=O)[C@H](CO)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(C)C
Structure:
CAS RN: 146363-74-8
CAS Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-5-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-2-propan-2-ylhexanamide
OPENEYE Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(1S)-2-hydroxy-1-(2-pyridylmethylcarbamoyl)propyl]-2-isopropyl-5-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]hexanamide
IUPAC Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-5-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2S,4S)-6-cyclohexyl-5-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanyl-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C42H59N5O7
MOLECULAR WEIGHT: 745.94716
SMILES: CC(C)[C@H](C[C@@H](C(CC1CCCCC1)NC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC3=CC=CC=C32)O)C(=O)N[C@@H](C(C)O)C(=O)NCC4=CC=CC=N4
Structure:
CAS RN: 146363-73-7
CAS Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(2-pyridinylmethylamino)propan-2-yl]-5-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-2-propan-2-ylhexanamide
OPENEYE Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(2-pyridylmethylamino)ethyl]-2-isopropyl-5-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]hexanamide
IUPAC Name: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-5-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2S,4S)-6-cyclohexyl-5-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanyl-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)propan-2-yl]-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C41H57N5O7
MOLECULAR WEIGHT: 731.92058
SMILES: CC(C)[C@H](C[C@@H](C(CC1CCCCC1)NC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC3=CC=CC=C32)O)C(=O)N[C@@H](CO)C(=O)NCC4=CC=CC=N4
Structure:
CAS RN: 181869-09-0
CAS Name: (2R,4S)-5-[2-(tert-butylsulfamoyl)phenyl]-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-5-[2-(tert-butylsulfamoyl)phenyl]-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]pentanamide
IUPAC Name: (2R,4S)-2-benzyl-5-[2-(tert-butylsulfamoyl)phenyl]-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SYSTEMATIC NAME: (2R,4S)-5-[2-(tert-butylsulfamoyl)phenyl]-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C31H38N2O5S
MOLECULAR WEIGHT: 550.70882
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181869-08-9
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)-5-(2-sulfamoylphenyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-sulfamoylphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-sulfamoylphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)-5-(2-sulfamoylphenyl)pentanamide
MOLECULAR FORMULA: C27H30N2O5S
MOLECULAR WEIGHT: 494.6025
SMILES: C1[C@H](C(C2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](CC4=CC=CC=C4S(=O)(=O)N)O)O
Structure:
CAS RN: 181869-07-8
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylsulfonylphenyl)-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methylsulfonylphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylsulfonylphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2-methylsulfonylphenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C28H31NO5S
MOLECULAR WEIGHT: 493.61444
SMILES: CS(=O)(=O)C1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181869-06-7
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methylthio)phenyl]-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methylsulfanylphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylsulfanylphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2-methylsulfanylphenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C28H31NO3S
MOLECULAR WEIGHT: 461.61564
SMILES: CSC1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181869-05-6
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methoxymethoxy)phenyl]-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-[2-(methoxymethoxy)phenyl]pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methoxymethoxy)phenyl]pentanamide
SYSTEMATIC NAME: (2R,4S)-5-[2-(methoxymethoxy)phenyl]-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: COCOC1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181869-04-5
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(2-methylpropoxy)phenyl]-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-isobutoxyphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(2-methylpropoxy)phenyl]pentanamide
SYSTEMATIC NAME: (2R,4S)-5-[2-(2-methylpropoxy)phenyl]-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C31H37NO4
MOLECULAR WEIGHT: 487.62978
SMILES: CC(C)COC1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181869-03-4
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxy-4-phenoxyphenyl)-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxy-4-phenoxy-phenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxy-4-phenoxyphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2-methoxy-4-phenoxy-phenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C34H35NO5
MOLECULAR WEIGHT: 537.6454
SMILES: COC1=C(C=CC(=C1)OC2=CC=CC=C2)C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)NC4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 181869-01-2
CAS Name: (2R,4S)-5-(2,4-dimethoxyphenyl)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-5-(2,4-dimethoxyphenyl)-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]pentanamide
IUPAC Name: (2R,4S)-2-benzyl-5-(2,4-dimethoxyphenyl)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2,4-dimethoxyphenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: COC1=CC(=C(C=C1)C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O)OC
Structure:
CAS RN: 181869-00-1
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxyphenyl)-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxyphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxyphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2-methoxyphenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C28H31NO4
MOLECULAR WEIGHT: 445.55004
SMILES: COC1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 181868-99-5
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-hydroxyphenyl)-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-hydroxyphenyl)pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-hydroxyphenyl)pentanamide
SYSTEMATIC NAME: (2R,4S)-5-(2-hydroxyphenyl)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C27H29NO4
MOLECULAR WEIGHT: 431.52346
SMILES: C1[C@H](C(C2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](CC4=CC=CC=C4O)O)O
Structure:
CAS RN: 181868-98-4
CAS Name: (2R,4S)-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenyl-2-(phenylmethyl)pentanamide
OPENEYE Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-phenyl-pentanamide
IUPAC Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-phenylpentanamide
SYSTEMATIC NAME: (2R,4S)-4-oxidanyl-N-[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-5-phenyl-2-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C27H29NO3
MOLECULAR WEIGHT: 415.52406
SMILES: C1[C@H](C(C2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](CC4=CC=CC=C4)O)O
Structure:
CAS RN: 181869-12-5
CAS Name: N-tert-butyl-2-[(2S,4R)-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]benzamide
OPENEYE Name: 2-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-benzamide
IUPAC Name: 2-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylbenzamide
SYSTEMATIC NAME: N-tert-butyl-2-[(2S,4R)-2-oxidanyl-5-[[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]benzamide
MOLECULAR FORMULA: C32H38N2O4
MOLECULAR WEIGHT: 514.65512
SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O
Structure:
CAS RN: 77712-46-0
CAS Name: (6Z)-6-[6-(4-phenylphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[6-(4-phenylphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[6-(4-phenylphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[6-(4-phenylphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C22H16N4OS
MOLECULAR WEIGHT: 384.45364
SMILES: C1C(=NN2/C(=C\3/C=CC=CC3=O)/NN=C2S1)C4=CC=C(C=C4)C5=CC=CC=C5
Structure:
CAS RN: 5715-76-4
CAS Name: disodium 4-[(Z)-(3-carboxylato-4-oxo-1-naphthalenylidene)-phenylmethyl]-1-hydroxy-2-naphthalenecarboxylate
OPENEYE Name: disodium 4-[(Z)-(3-carboxylato-4-oxo-1-naphthylidene)-phenyl-methyl]-1-hydroxy-naphthalene-2-carboxylate
IUPAC Name: disodium 4-[(Z)-(3-carboxylato-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylate
SYSTEMATIC NAME: disodium 4-[(Z)-(3-carboxylato-4-oxidanylidene-naphthalen-1-ylidene)-phenyl-methyl]-1-oxidanyl-naphthalene-2-carboxylate
MOLECULAR FORMULA: C29H16Na2O6
MOLECULAR WEIGHT: 506.41328
SMILES: C1=CC=C(C=C1)/C(=C/2\C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])/C4=CC(=C(C5=CC=CC=C54)O)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 2013-58-3
CAS Name: (2E,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: (2E,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: (2E,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2E,4aR,5S,5aS,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C22H21ClN2O8
MOLECULAR WEIGHT: 476.86374
SMILES: CN(C)C1[C@@H]2[C@H]([C@H]3C(=C)C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)Cl)O
Structure:
CAS RN: 7441-55-6
CAS Name: N-[4-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]ethanamide
MOLECULAR FORMULA: C11H14N4OS
MOLECULAR WEIGHT: 250.32006
SMILES: C/C(=N\NC(=S)N)/C1=CC=C(C=C1)NC(=O)C
Structure:
CAS RN: 150736-68-8
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-(4-morpholinyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-5-[[(1S)-1-[[(1S)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C42H56N4O7
MOLECULAR WEIGHT: 728.91664
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
Structure:
CAS RN: 68758-85-0
CAS Name: 4-tert-butyl-N'-[(Z)-(2-oxo-1-naphthalenylidene)methyl]benzohydrazide
OPENEYE Name: 4-tert-butyl-N'-[(Z)-(2-oxo-1-naphthylidene)methyl]benzohydrazide
IUPAC Name: 4-tert-butyl-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]benzohydrazide
SYSTEMATIC NAME: 4-tert-butyl-N'-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]benzohydrazide
MOLECULAR FORMULA: C22H22N2O2
MOLECULAR WEIGHT: 346.42228
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32
Structure:
CAS RN: 174232-35-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N3O2+
MOLECULAR WEIGHT: 322.381
SMILES: C[N+]1=C2C=C(C(=O)C3=C2C(=CN3)CC1)NCCC4=CC=C(C=C4)O
Structure:
CAS RN: 134458-77-8
CAS Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxy-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-6-cyclohexyl-5-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-oxidanylethanoylamino)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C35H55N7O7
MOLECULAR WEIGHT: 685.8539
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)CO)O)O)C(C)C
Structure:
CAS RN: 10163-13-0
CAS Name: cadmium(2+); 7-hydroxy-2-(3-hydroxy-4-oxidophenyl)-4-oxo-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-5-olate
OPENEYE Name: cadmium(2+); 7-hydroxy-2-(3-hydroxy-4-oxido-phenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-5-olate
IUPAC Name: cadmium(2+); 7-hydroxy-2-(3-hydroxy-4-oxidophenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-5-olate
SYSTEMATIC NAME: cadmium(2+); 3-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-oxidanidyl-3-oxidanyl-phenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate
MOLECULAR FORMULA: C27H28CdO16
MOLECULAR WEIGHT: 720.91262
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=CC(=C4)O)[O-])C5=CC(=C(C=C5)[O-])O)O)O)O)O)O)O.[Cd+2]
Structure:
CAS RN: 201341-07-3
CAS Name: carbonic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[oxo(pentan-3-yloxy)methoxy]methoxy]phosphoryl]oxymethyl pentan-3-yl ester
OPENEYE Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(1-ethylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 1-ethylpropyl carbonate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(pentan-3-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl pentan-3-yl carbonate
SYSTEMATIC NAME: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(pentan-3-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl pentan-3-yl carbonate
MOLECULAR FORMULA: C23H38N5O10P
MOLECULAR WEIGHT: 575.549081
SMILES: CCC(CC)OC(=O)OCOP(=O)(CO[C@H](C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(CC)CC
Structure:
CAS RN: 280571-04-2
CAS Name: (Z)-3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one
OPENEYE Name: (Z)-3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
IUPAC Name: (Z)-3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-oxidanyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
MOLECULAR FORMULA: C16H13FN4O2
MOLECULAR WEIGHT: 312.298423
SMILES: C1=CC(=CC=C1CC2=CNC=C2/C(=C/C(=O)C3=NC=NN3)/O)F
Structure:
CAS RN: 80214-83-1
CAS Name: (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexame
OPENEYE Name: (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-
IUPAC Name: (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl
SYSTEMATIC NAME: (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-7,12,13-tris(o
MOLECULAR FORMULA: C41H76N2O15
MOLECULAR WEIGHT: 837.04654
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
Structure:
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