CAS RN: 152923-42-7
CAS Name: (3S)-3-amino-4-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropa
OPENEYE Name: (3S)-3-amino-4-[[(1S,2R)-1-[[2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carb
IUPAC Name: (3S)-3-amino-4-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpro
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxi
MOLECULAR FORMULA: C51H76N12O16S
MOLECULAR WEIGHT: 1145.28494
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(=O)O)N)O
Structure:
CAS RN: 152923-41-6
CAS Name: (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]ami
OPENEYE Name: (3S)-4-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-3-[[2-[[(2S,3
IUPAC Name: (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]a
SYSTEMATIC NAME: (3S)-4-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-ox
MOLECULAR FORMULA: C51H77N13O15S
MOLECULAR WEIGHT: 1144.30018
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(=O)N)N)O
Structure:
CAS RN: 152886-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: CCCN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1
Structure:
CAS RN: 152786-06-6
CAS Name: N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
OPENEYE Name: N,N-dimethyl-4-phenyl-tetralin-2-amine
IUPAC Name: N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SYSTEMATIC NAME: N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
MOLECULAR FORMULA: C18H21N
MOLECULAR WEIGHT: 251.36604
SMILES: CN(C)C1CC(C2=CC=CC=C2C1)C3=CC=CC=C3
Structure:
CAS RN: 152697-41-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12O7
MOLECULAR WEIGHT: 364.30508
SMILES: C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)C(=O)C67C4(O6)C(=O)C=C[C@@H]7O)OC3=CC=C2
Structure:
CAS RN: 152685-85-3
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneam
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-pheny
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]a
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylid
MOLECULAR FORMULA: C49H64N12O11
MOLECULAR WEIGHT: 997.10626
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)N)O
Structure:
CAS RN: 152595-59-0
CAS Name: 4-[[4-(methylthio)-1-cyclohexa-2,4-dienyl]methyl]-5-(trifluoromethyl)-3-pyrazolone
OPENEYE Name: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one
IUPAC Name: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one
SYSTEMATIC NAME: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one
MOLECULAR FORMULA: C12H11F3N2OS
MOLECULAR WEIGHT: 288.28875
SMILES: CSC1=CCC(C=C1)CC2=C(N=NC2=O)C(F)(F)F
Structure:
CAS RN: 152429-64-6
CAS Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
OPENEYE Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
IUPAC Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 11-[2-[6-[8-[6-[bis[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C64H77N13O6
MOLECULAR WEIGHT: 1124.37968
SMILES: CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6)CCCCCCNCC(=O)N7C8=CC=CC=C8C(=O)NC9=C7N=CC=C9
Structure:
CAS RN: 152382-67-7
CAS Name: N-(3-methylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine
OPENEYE Name: N-(1,2-dimethylpropyl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine
IUPAC Name: N-(3-methylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine
SYSTEMATIC NAME: N-(3-methylbutan-2-yl)-1,1-bis(oxidanylidene)-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine
MOLECULAR FORMULA: C11H16N4O2S
MOLECULAR WEIGHT: 268.33534
SMILES: CC(C)C(C)NC1=NS(=O)(=O)C2=C(N1)C=CN=C2
Structure:
CAS RN: 152378-18-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H36O15
MOLECULAR WEIGHT: 816.75834
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@H]6C([C@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC=C(C=C8)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O
Structure:
CAS RN: 152323-84-7
CAS Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)-2-oxolanyl]butyl]-2-oxolanyl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[9-[5-[1,4-bis(oxidanyl)-4-[5-(1-oxidanylundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-oxidanyl-nonyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O8
MOLECULAR WEIGHT: 638.91514
SMILES: CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O
Structure:
CAS RN: 125882-64-6
CAS Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)-2-oxolanyl]butyl]-2-oxolanyl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[9-[5-[1,4-bis(oxidanyl)-4-[5-(1-oxidanylundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-oxidanyl-nonyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O8
MOLECULAR WEIGHT: 638.91514
SMILES: CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O
Structure:
CAS RN: 150134-21-7
CAS Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)-2-oxolanyl]butyl]-2-oxolanyl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[9-[5-[1,4-bis(oxidanyl)-4-[5-(1-oxidanylundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-oxidanyl-nonyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O8
MOLECULAR WEIGHT: 638.91514
SMILES: CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O
Structure:
CAS RN: 152139-44-1
CAS Name: N-[3,4-dihydroxy-16-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadecan-2-yl]-2-hydroxytetracosanamide
OPENEYE Name: N-[2,3-dihydroxy-15-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadecyl]-2-hydroxy-tetracosanamide
IUPAC Name: N-[3,4-dihydroxy-16-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracosanamide
SYSTEMATIC NAME: N-[1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-16-methyl-3,4-bis(oxidanyl)octadecan-2-yl]-2-oxidanyl-tetracosanamide
MOLECULAR FORMULA: C49H97NO10
MOLECULAR WEIGHT: 860.29518
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(C(CCCCCCCCCCCC(C)CC)O)O)O
Structure:
CAS RN: 152127-74-7
CAS Name: 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-5,6-dimethoxybenzamide
OPENEYE Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-benzamide
IUPAC Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxybenzamide
SYSTEMATIC NAME: 5-bromanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-6-oxidanyl-benzamide
MOLECULAR FORMULA: C16H23BrN2O4
MOLECULAR WEIGHT: 387.26882
SMILES: CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2O)Br)OC)OC
Structure:
CAS RN: 152028-96-1
CAS Name: 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
OPENEYE Name: 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
IUPAC Name: 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
SYSTEMATIC NAME: 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
MOLECULAR FORMULA: C13H15IN2O
MOLECULAR WEIGHT: 342.17547
SMILES: C1=CC(=CC=C1COCCCC2=CN=CN2)I
Structure:
CAS RN: 152015-61-7
CAS Name: N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(2S)-4-methyl-2-[(4-methyl-2-oxo-chromen-7-yl)amino]pentanoyl]carbamoyl]butyl]carbamoyl]butyl]carbamate
IUPAC Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C36H48N4O7
MOLECULAR WEIGHT: 648.78892
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 152013-26-8
CAS Name: 4-amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)benzamide
OPENEYE Name: 4-amino-5-chloro-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
MOLECULAR FORMULA: C14H20ClN3O3
MOLECULAR WEIGHT: 313.7799
SMILES: CCOC1=CC(=C(C=C1C(=O)NCC2CNCCO2)Cl)N
Structure:
CAS RN: 151606-29-0
CAS Name: 2-[[2-methyl-8-[(4-methylphenyl)sulfonylamino]-6-quinolinyl]oxy]acetic acid
OPENEYE Name: 2-[[2-methyl-8-(p-tolylsulfonylamino)-6-quinolyl]oxy]acetic acid
IUPAC Name: 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyethanoic acid
MOLECULAR FORMULA: C19H18N2O5S
MOLECULAR WEIGHT: 386.42162
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OCC(=O)O)C=CC(=N3)C
Structure:
CAS RN: 151506-44-4
CAS Name: 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfinylphenyl)pyrazole
OPENEYE Name: 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfinylphenyl)pyrazole
IUPAC Name: 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfinylphenyl)pyrazole
SYSTEMATIC NAME: 3-[bis(fluoranyl)methyl]-1-(4-methoxyphenyl)-5-(4-methylsulfinylphenyl)pyrazole
MOLECULAR FORMULA: C18H16F2N2O2S
MOLECULAR WEIGHT: 362.393646
SMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)S(=O)C
Structure:
CAS RN: 151480-73-8
CAS Name: 3-methyl-6-nitro-4H-1,3-benzoxazin-2-one
OPENEYE Name: 3-methyl-6-nitro-4H-1,3-benzoxazin-2-one
IUPAC Name: 3-methyl-6-nitro-4H-1,3-benzoxazin-2-one
SYSTEMATIC NAME: 3-methyl-6-nitro-4H-1,3-benzoxazin-2-one
MOLECULAR FORMULA: C9H8N2O4
MOLECULAR WEIGHT: 208.17082
SMILES: CN1CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O
Structure:
CAS RN: 151275-15-9
CAS Name: (3S)-4-[[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxo-3-[(1-oxo-2-propylpentyl)amino]butanoic acid
OPENEYE Name: (3S)-4-[[(2S)-1-[(1S)-1-formyl-4-guanidino-butyl]pyrrolidine-2-carbonyl]amino]-4-oxo-3-(2-propylpentanoylamino)butanoic acid
IUPAC Name: (3S)-4-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-4-oxo-3-(2-propylpentanoylamino)butanoic acid
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-3-(2-propylpentanoylamino)butanoic acid
MOLECULAR FORMULA: C23H40N6O6
MOLECULAR WEIGHT: 496.6003
SMILES: CCCC(CCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCN=C(N)N)C=O
Structure:
CAS RN: 151232-75-6
CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(
OPENEYE Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-
IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-o
MOLECULAR FORMULA: C53H90N20O16
MOLECULAR WEIGHT: 1263.4061
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 151039-63-3
CAS Name: tributyl-[[4-[[(2S)-2-[[(cyclohexylamino)-cyclohexyliminomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]phosphonium chloride
OPENEYE Name: tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-(2-naphthyl)propanoyl]amino]phenyl]methyl]phosphonium chloride
IUPAC Name: tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium chloride
SYSTEMATIC NAME: tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-yl-propanoyl]amino]phenyl]methyl]phosphanium chloride
MOLECULAR FORMULA: C45H68ClN4OP
MOLECULAR WEIGHT: 747.474381
SMILES: CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=NC4CCCCC4)NC5CCCCC5.[Cl-]
Structure:
CAS RN: 150679-23-5
CAS Name: N-methyl-N-[2-[methyl-[4-morpholinyl(oxo)methyl]amino]ethyl]carbamic acid [1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] ester hydrochloride
OPENEYE Name: [1-benzyl-2-[[(1S)-2-[[1-(cyclohexylmethyl)-2-hydroxy-5-methyl-hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate hydrochloride
IUPAC Name: [1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate hydrochloride
SYSTEMATIC NAME: [1-[[(2S)-1-[(1-cyclohexyl-6-methyl-3-oxidanyl-heptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl] N-methyl-N-[2-[methyl(morpholin-4-ylcarbonyl)amino]ethyl]carbamate hydrochloride
MOLECULAR FORMULA: C40H64ClN7O7
MOLECULAR WEIGHT: 790.43186
SMILES: CC(C)CCC(C(CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N(C)CCN(C)C(=O)N4CCOCC4)O.Cl
Structure:
CAS RN: 83256-99-9
CAS Name: (4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
OPENEYE Name: (4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
IUPAC Name: (4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
SYSTEMATIC NAME: (4R)-N-(2-azanylethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
MOLECULAR FORMULA: C26H46N2O3
MOLECULAR WEIGHT: 434.65504
SMILES: C[C@H](CCC(=O)NCCN)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 150563-61-4
CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(propylthio)propanoic acid
OPENEYE Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-propylsulfanyl-propanoic acid
IUPAC Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanylpropanoic acid
SYSTEMATIC NAME: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanyl-propanoic acid
MOLECULAR FORMULA: C25H25NO4S
MOLECULAR WEIGHT: 435.5353
SMILES: CCCSC(CC1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O
Structure:
CAS RN: 150408-73-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H19FN4O2
MOLECULAR WEIGHT: 438.453063
SMILES: C1CN2C(=O)[C@H](N=C(C3=C2C1=CC=C3)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5
Structure:
CAS RN: 150315-10-9
CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid
OPENEYE Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H12F3N5O7S
MOLECULAR WEIGHT: 451.33459
SMILES: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)O)OC
Structure:
CAS RN: 150231-96-2
CAS Name: N-methyl-N-(1-naphthalenylmethyl)-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine hydrochloride
OPENEYE Name: N-methyl-1-[4-(1-methyl-1-phenyl-ethyl)phenyl]-N-(1-naphthylmethyl)methanamine hydrochloride
IUPAC Name: N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine hydrochloride
SYSTEMATIC NAME: N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine hydrochloride
MOLECULAR FORMULA: C28H30ClN
MOLECULAR WEIGHT: 415.9975
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=CC=CC=C43.Cl
Structure:
CAS RN: 150206-03-4
CAS Name: acetic acid [6'-acetyloxy-5-[[3-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propylamino]-oxomethyl]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl] ester
OPENEYE Name: [6'-acetoxy-5-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylcarbamoyl]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] acetate
IUPAC Name: [6'-acetyloxy-5-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylcarbamoyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
SYSTEMATIC NAME: [6'-acetyloxy-5-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylcarbamoyl]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] ethanoate
MOLECULAR FORMULA: C49H36N4O10
MOLECULAR WEIGHT: 840.83094
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)NCCCN5C=C(C6=CC=CC=C65)C7=C(C(=O)NC7=O)C8=CN(C9=CC=CC=C98)C)C(=O)O3)C1=C(O2)C=C(C=C1)OC(=O)C
Structure:
CAS RN: 83184-14-9
CAS Name: 1-(4-nitrophenyl)-2-propyn-1-ol
OPENEYE Name: 1-(4-nitrophenyl)prop-2-yn-1-ol
IUPAC Name: 1-(4-nitrophenyl)prop-2-yn-1-ol
SYSTEMATIC NAME: 1-(4-nitrophenyl)prop-2-yn-1-ol
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C#CC(C1=CC=C(C=C1)[N+](=O)[O-])O
Structure:
CAS RN: 150045-18-4
CAS Name: 5,8-dihydroxy-3-methyl-9H-benzo[f]isobenzofuran-4-one
OPENEYE Name: 5,8-dihydroxy-3-methyl-9H-benzo[f]isobenzofuran-4-one
IUPAC Name: 5,8-dihydroxy-3-methyl-9H-benzo[f][2]benzofuran-4-one
SYSTEMATIC NAME: 3-methyl-5,8-bis(oxidanyl)-9H-benzo[f][2]benzofuran-4-one
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: CC1=C2C(=CO1)CC3=C(C=CC(=C3C2=O)O)O
Structure:
CAS RN: 150035-99-7
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hyd
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoy
MOLECULAR FORMULA: C46H85N13O13
MOLECULAR WEIGHT: 1028.2464
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)N
Structure:
CAS RN: 78700-75-1
CAS Name: (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-amino-N-[(1R)-2-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2R)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C23H29N5O5
MOLECULAR WEIGHT: 455.50686
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 149970-64-9
CAS Name: N-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxysulfonyl]carbamic acid [2-(1-oxodecylamino)-3-phenylpropyl] ester
OPENEYE Name: [2-(decanoylamino)-3-phenyl-propyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxysulfonyl]carbamate
IUPAC Name: [2-(decanoylamino)-3-phenylpropyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl]carbamate
SYSTEMATIC NAME: [2-(decanoylamino)-3-phenyl-propyl] N-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonyl]carbamate
MOLECULAR FORMULA: C29H42N4O11S
MOLECULAR WEIGHT: 654.72898
SMILES: CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)COC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
Structure:
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