CAS RN: 3118-85-2
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
OPENEYE Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
SYSTEMATIC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanamide
MOLECULAR FORMULA: C6H13NO6
MOLECULAR WEIGHT: 195.17052
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)N)O)O)O)O)O
Structure:
CAS RN: 86413-75-4
CAS Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[[(2R,5R,6R)-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (2S,3R,4aS,12bR)-3-methyl-12b-[(2R,5R,6R)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2,3,4a,8-tetrakis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C25H26O10
MOLECULAR WEIGHT: 486.46794
SMILES: C[C@@H]1[C@@H](CC[C@H](O1)O[C@@]23C(=O)[C@H]([C@](C[C@@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)O)O
Structure:
CAS RN: 92700-75-9
CAS Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[[(2R,5R,6R)-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (2S,3R,4aS,12bR)-3-methyl-12b-[(2R,5R,6R)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2,3,4a,8-tetrakis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C25H26O10
MOLECULAR WEIGHT: 486.46794
SMILES: C[C@@H]1[C@@H](CC[C@H](O1)O[C@@]23C(=O)[C@H]([C@](C[C@@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)O)O
Structure:
CAS RN: 141396-10-3
CAS Name: bis[(1R)-1-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-phenylethyl]phosphinic acid
OPENEYE Name: bis[(1R)-1-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]phosphinic acid
IUPAC Name: bis[(1R)-1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]phosphinic acid
SYSTEMATIC NAME: bis[(1R)-1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]phosphinic acid
MOLECULAR FORMULA: C42H51N4O8P
MOLECULAR WEIGHT: 770.850101
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)P(=O)([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 28808-62-0
CAS Name: (3R,3aR)-3-(3-furanyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one
OPENEYE Name: (3R,3aR)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one
IUPAC Name: (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
SYSTEMATIC NAME: (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3
Structure:
CAS RN: 68236-11-3
CAS Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chroman-4-one
IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C25H28O5
MOLECULAR WEIGHT: 408.48682
SMILES: CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C
Structure:
CAS RN: 6991-10-2
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 80286-58-4
CAS Name: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-propenoic acid
OPENEYE Name: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
IUPAC Name: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: C[C@@H]1CCC(C2C1CCC(=C2)C)C(=C)C(=O)O
Structure:
CAS RN: 158276-70-1
CAS Name: 5-amino-2-(2,6-dimethylphenyl)isoindole-1,3-dione
OPENEYE Name: 5-amino-2-(2,6-dimethylphenyl)isoindoline-1,3-dione
IUPAC Name: 5-amino-2-(2,6-dimethylphenyl)isoindole-1,3-dione
SYSTEMATIC NAME: 5-azanyl-2-(2,6-dimethylphenyl)isoindole-1,3-dione
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)N
Structure:
CAS RN: 37239-47-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H47NO19
MOLECULAR WEIGHT: 857.80718
SMILES: CC1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 52278-77-0
CAS Name: 4-amino-5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-oxidanyl-pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)O)CO)O
Structure:
CAS RN: 20839-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H48O8
MOLECULAR WEIGHT: 560.71872
SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)C)C)O)C=C(C4=O)C)O)CO
Structure:
CAS RN: 16561-28-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H48O8
MOLECULAR WEIGHT: 560.71872
SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)C)C)O)C=C(C4=O)C)O)CO
Structure:
CAS RN: 149849-59-2
CAS Name: N,N'-bis[2-[(5-bromo-2-hexyl-1,3-dioxo-6-benzo[de]isoquinolinyl)amino]ethyl]hexanediamide
OPENEYE Name: N,N'-bis[2-[(5-bromo-2-hexyl-1,3-dioxo-benzo[de]isoquinolin-6-yl)amino]ethyl]hexanediamide
IUPAC Name: N,N'-bis[2-[(5-bromo-2-hexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)amino]ethyl]hexanediamide
SYSTEMATIC NAME: N,N'-bis[2-[[5-bromanyl-2-hexyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]amino]ethyl]hexanediamide
MOLECULAR FORMULA: C46H54Br2N6O6
MOLECULAR WEIGHT: 946.76556
SMILES: CCCCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3NCCNC(=O)CCCCC(=O)NCCNC4=C(C=C5C6=C4C=CC=C6C(=O)N(C5=O)CCCCCC)Br)Br)C1=O
Structure:
CAS RN: 41743-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H24O12
MOLECULAR WEIGHT: 576.50436
SMILES: C1[C@H]([C@H](OC2=C3[C@@H]4[C@H]([C@@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O
Structure:
CAS RN: 4478-00-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H24O12
MOLECULAR WEIGHT: 576.50436
SMILES: C1[C@H]([C@H](OC2=C3[C@@H]4[C@H]([C@@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O
Structure:
CAS RN: 79886-49-0
CAS Name: 3,4,5-trihydroxybenzoic acid [(5R)-4,5-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-4-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-oxolanyl]methyl ester
OPENEYE Name: [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC Name: [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(5R)-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-4-[[3,4,5-tris(oxidanyl)phenyl]carbonyloxymethyl]oxolan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C27H24O18
MOLECULAR WEIGHT: 636.46866
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C([C@@H](O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 123166-69-8
CAS Name: (1S,3R,4R,5R)-3-[[3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]-oxomethoxy]-1-hydroxy-4,5-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (1S,3R,4R,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoyl]oxy-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
IUPAC Name: (1S,3R,4R,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3R,4R,5R)-3-[3,5-bis(oxidanyl)-4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-1-oxidanyl-4,5-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C35H28O22
MOLECULAR WEIGHT: 800.58362
SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
Structure:
CAS RN: 123134-19-0
CAS Name: (3R,5R)-4-[[3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]-oxomethoxy]-1-hydroxy-3,5-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-4-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-4-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-4-[3,5-bis(oxidanyl)-4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-1-oxidanyl-3,5-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C35H28O22
MOLECULAR WEIGHT: 800.58362
SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
Structure:
CAS RN: 13405-60-2
CAS Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C13H16O10
MOLECULAR WEIGHT: 332.26014
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 554-37-0
CAS Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C13H16O10
MOLECULAR WEIGHT: 332.26014
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 109008-79-9
CAS Name: (3R,5R)-1,3,4,5-tetrakis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-1,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-1,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-1,3,4,5-tetrakis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C35H28O22
MOLECULAR WEIGHT: 800.58362
SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
Structure:
CAS RN: 163565-75-1
CAS Name: (2S)-2-[[[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-guanidino-butyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C30H41N7O7
MOLECULAR WEIGHT: 611.68924
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
Structure:
CAS RN: 638-96-0
CAS Name: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
OPENEYE Name: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
IUPAC Name: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
SYSTEMATIC NAME: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
MOLECULAR FORMULA: C30H48O
MOLECULAR WEIGHT: 424.70152
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C
Structure:
CAS RN: 12798-57-1
CAS Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: (2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-6-[(2R,3R,4S)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 79907-44-1
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester
OPENEYE Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-4-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2R,3R,4R)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C44H34O20
MOLECULAR WEIGHT: 882.72876
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Structure:
CAS RN: 141272-45-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O5
MOLECULAR WEIGHT: 448.63526
SMILES: C[C@@H]1C[C@@]([C@@H]2[C@H]1[C@]3(CCC4C([C@H]3C2=O)[C@H]([C@@H]([C@@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C)(CC(C)C)O
Structure:
CAS RN: 5532-41-2
CAS Name: (3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
OPENEYE Name: (3S,3aS,5aS,9R,11aS,13aR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
IUPAC Name: (3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
SYSTEMATIC NAME: (3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(C)[C@@H]1CCC2[C@]1(CC[C@@]3([C@@]2(CC=C4C3CCC5[C@@]4(CC[C@H](C5(C)C)O)C)C)C)C
Structure:
CAS RN: 37330-50-0
CAS Name: acetic acid; formaldehyde; 2,4,6-trinitrophenol
OPENEYE Name: acetic acid; formaldehyde; picric acid
IUPAC Name: acetic acid; formaldehyde; 2,4,6-trinitrophenol
SYSTEMATIC NAME: ethanoic acid; methanal; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C9H9N3O10
MOLECULAR WEIGHT: 319.18186
SMILES: CC(=O)O.C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5436-60-2
CAS Name: (2R,4R,5S)-5-ethenyl-2-[(S)-hydroxy-(6-methoxy-4-quinolinyl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
OPENEYE Name: (3S,4R,6R)-6-[(S)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-quinuclidin-3-ol
IUPAC Name: (2R,4R,5S)-5-ethenyl-2-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
SYSTEMATIC NAME: (2R,4R,5S)-5-ethenyl-2-[(S)-(6-methoxyquinolin-4-yl)-oxidanyl-methyl]-1-azabicyclo[2.2.2]octan-5-ol
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@@]4(C=C)O)O
Structure:
CAS RN: 12764-49-7
CAS Name: (2S,5R)-2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
OPENEYE Name: (2S,5R)-2-amino-6-[(5-amino-5-carboxy-2-hydroxy-pentyl)amino]-5-hydroxy-hexanoic acid
IUPAC Name: (2S,5R)-2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
SYSTEMATIC NAME: (2S,5R)-2-azanyl-6-[[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]amino]-5-oxidanyl-hexanoic acid
MOLECULAR FORMULA: C12H25N3O6
MOLECULAR WEIGHT: 307.3434
SMILES: C(C[C@@H](C(=O)O)N)[C@H](CNCC(CCC(C(=O)O)N)O)O
Structure:
CAS RN: 127792-75-0
CAS Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
OPENEYE Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SYSTEMATIC NAME: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: C1CNCC=C1C2=CNC3=C2NC(=O)C=C3
Structure:
CAS RN: 117186-80-8
CAS Name: 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methyl-2-indolyl)-1-propanone
OPENEYE Name: 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one
IUPAC Name: 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one
SYSTEMATIC NAME: 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3N2C
Structure:
CAS RN: 34620-76-3
CAS Name: (2R,3R,4R,5R)-4-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydroxy-6-
OPENEYE Name: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyra
IUPAC Name: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydrox
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-
MOLECULAR FORMULA: C30H52O26
MOLECULAR WEIGHT: 828.71828
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)CO)O)O)O)O
Structure:
CAS RN: 135306-85-3
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]am
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1R)-2-[[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]am
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-
MOLECULAR FORMULA: C57H68N12O10
MOLECULAR WEIGHT: 1081.22422
SMILES: CC(C)[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 28219-81-0
CAS Name: ammonia; azanide; cobalt(3+)
OPENEYE Name: cobaltic; ammonia; azanide
IUPAC Name: azane; azanide; cobalt(3+)
SYSTEMATIC NAME: azane; azanide; cobalt(3+)
MOLECULAR FORMULA: CoH15N6
MOLECULAR WEIGHT: 158.0925
SMILES: N.N.N.[NH2-].[NH2-].[NH2-].[Co+3]
Structure:
CAS RN: 34083-21-1
CAS Name: ammonia; azanide; cobalt(3+)
OPENEYE Name: cobaltic; ammonia; azanide
IUPAC Name: azane; azanide; cobalt(3+)
SYSTEMATIC NAME: azane; azanide; cobalt(3+)
MOLECULAR FORMULA: CoH15N6
MOLECULAR WEIGHT: 158.0925
SMILES: N.N.N.[NH2-].[NH2-].[NH2-].[Co+3]
Structure:
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