CAS RN: 1449-05-4
CAS Name: (2R,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
OPENEYE Name: (2R,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
IUPAC Name: (2R,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
SYSTEMATIC NAME: (2R,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
MOLECULAR FORMULA: C30H46O4
MOLECULAR WEIGHT: 470.68384
SMILES: C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
Structure:
CAS RN: 15291-76-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O11
MOLECULAR WEIGHT: 440.39796
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5C3([C@@H]2O)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
Structure:
CAS RN: 15291-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5C3([C@@H]2O)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
Structure:
CAS RN: 2650-36-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H23NO6
MOLECULAR WEIGHT: 397.42112
SMILES: CCO[C@@H]1C2=C(C=CC3=C2OCO3)[C@@H]4[C@H](O1)C5=CC6=C(C=C5CCN4C)OCO6
Structure:
CAS RN: 545-48-2
CAS Name: (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
OPENEYE Name: (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
IUPAC Name: (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
SYSTEMATIC NAME: (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C[C@]12CCC(C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O
Structure:
CAS RN: 28282-25-9
CAS Name: (2S)-6-methyl-2-[(10S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-heptenoic acid
OPENEYE Name: (2S)-6-methyl-2-[(10S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
IUPAC Name: (2S)-6-methyl-2-[(10S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
SYSTEMATIC NAME: (2S)-6-methyl-2-[(10S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
MOLECULAR FORMULA: C30H46O3
MOLECULAR WEIGHT: 454.68444
SMILES: CC(=CCC[C@@H]([C@@H]1CC[C@]2(C1(CCC3=C2CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C
Structure:
CAS RN: 1183-35-3
CAS Name: 4-[(1R,3S,5S,10S,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxolanone
OPENEYE Name: 4-[(1R,3S,5S,10S,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-one
IUPAC Name: 4-[(1R,3S,5S,10S,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
SYSTEMATIC NAME: 4-[(1R,3S,5S,10S,13R,14S)-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,11,14-tetrakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
MOLECULAR FORMULA: C29H46O12
MOLECULAR WEIGHT: 586.66834
SMILES: CC1[C@@H](C(C([C@H](O1)O[C@H]2C[C@H]([C@]3(C4C(CC[C@@]3(C2)O)[C@]5(CCC([C@]5(CC4O)C)C6CC(=O)OC6)O)CO)O)O)O)O
Structure:
CAS RN: 53760-19-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39NO5
MOLECULAR WEIGHT: 493.63436
SMILES: CC1C/C=C\C2C(C(=C)C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
Structure:
CAS RN: 22144-76-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37NO6
MOLECULAR WEIGHT: 507.61788
SMILES: CC1C/C=C\C2C(C(=C(C3C2(C(/C=C/C(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O
Structure:
CAS RN: 14110-64-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H35NO5
MOLECULAR WEIGHT: 477.5919
SMILES: CC1CCCC(=O)/C=C/C(=O)OC23C(/C=C\C1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O
Structure:
CAS RN: 508-77-0
CAS Name: (3S,10S)-5,14-dihydroxy-3-[[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,10S)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,10S)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,10S)-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O9
MOLECULAR WEIGHT: 548.66496
SMILES: C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
Structure:
CAS RN: 1259-10-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H52O2
MOLECULAR WEIGHT: 468.75408
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C
Structure:
CAS RN: 469-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
Structure:
CAS RN: 910-31-6
CAS Name: (8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-3-chloro-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-3-chloranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H45Cl
MOLECULAR WEIGHT: 405.0992
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)Cl)C)C
Structure:
CAS RN: 80-97-7
CAS Name: (3R,5R,8S,10R,13S,14R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3R,5R,8S,10R,13S,14R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3R,5R,8S,10R,13S,14R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3R,5R,8S,10R,13S,14R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H48O
MOLECULAR WEIGHT: 388.66942
SMILES: C[C@H](CCCC(C)C)C1CC[C@H]2[C@]1(CCC3[C@@H]2CC[C@H]4[C@]3(CC[C@H](C4)O)C)C
Structure:
CAS RN: 469-61-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C[C@H]1CC[C@H]2[C@@]13CC=C(C(C3)C2(C)C)C
Structure:
CAS RN: 2219-31-0
CAS Name: [(1S)-1-carboxy-3-(diaminomethylideneamino)oxypropyl]ammonium; hydrogen sulfate
OPENEYE Name: [(1S)-1-carboxy-3-guanidinooxy-propyl]ammonium; hydrogen sulfate
IUPAC Name: [(1S)-1-carboxy-3-(diaminomethylideneamino)oxypropyl]azanium; hydrogen sulfate
SYSTEMATIC NAME: [(2S)-4-[bis(azanyl)methylideneamino]oxy-1-oxidanyl-1-oxidanylidene-butan-2-yl]azanium; hydrogen sulfate
MOLECULAR FORMULA: C5H14N4O7S
MOLECULAR WEIGHT: 274.25226
SMILES: C(CON=C(N)N)[C@@H](C(=O)O)[NH3+].OS(=O)(=O)[O-]
Structure:
CAS RN: 631-69-6
CAS Name: (3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
OPENEYE Name: (3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
IUPAC Name: (3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
SYSTEMATIC NAME: (3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
Structure:
CAS RN: 471-66-9
CAS Name: (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
OPENEYE Name: (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
IUPAC Name: (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
SYSTEMATIC NAME: (6aR,6bS,8aR,12aR)-4,6a,6b,8a,11,11,14b-heptamethyl-3-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C
Structure:
CAS RN: 464-92-6
CAS Name: (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aS,14bR)-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C30H48O5
MOLECULAR WEIGHT: 488.69912
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@H]2[C@H]1C)C)C(=O)O
Structure:
CAS RN: 11027-63-7
CAS Name: 4-hydroxybenzoic acid [(1S,4aS,5R,7aR)-5-hydroxy-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl ester
OPENEYE Name: [(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
IUPAC Name: [(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
SYSTEMATIC NAME: [(1S,4aS,5R,7aR)-1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H26O11
MOLECULAR WEIGHT: 466.43524
SMILES: C1=CO[C@H]([C@@H]2[C@H]1[C@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 487-36-5
CAS Name: 4-[(3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
OPENEYE Name: 4-[(3aR,6S,6aR)-6-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
IUPAC Name: 4-[(3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[(3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]3COC([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 134019-73-1
CAS Name: N-(2-chlorosulfonylethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-chlorosulfonylethyl)carbamate
IUPAC Name: tert-butyl N-(2-chlorosulfonylethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-chloranylsulfonylethyl)carbamate
MOLECULAR FORMULA: C7H14ClNO4S
MOLECULAR WEIGHT: 243.70836
SMILES: CC(C)(C)OC(=O)NCCS(=O)(=O)Cl
Structure:
CAS RN: 131052-46-5
CAS Name: 5-thiazolylmethanamine hydrochloride
OPENEYE Name: thiazol-5-ylmethanamine hydrochloride
IUPAC Name: 1,3-thiazol-5-ylmethanamine hydrochloride
SYSTEMATIC NAME: 1,3-thiazol-5-ylmethanamine hydrochloride
MOLECULAR FORMULA: C4H7ClN2S
MOLECULAR WEIGHT: 150.62978
SMILES: C1=C(SC=N1)CN.Cl
Structure:
CAS RN: 187089-27-6
CAS Name: N-(2-chlorosulfonylethyl)carbamic acid 9H-fluoren-9-ylmethyl ester
OPENEYE Name: 9H-fluoren-9-ylmethyl N-(2-chlorosulfonylethyl)carbamate
IUPAC Name: 9H-fluoren-9-ylmethyl N-(2-chlorosulfonylethyl)carbamate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl N-(2-chloranylsulfonylethyl)carbamate
MOLECULAR FORMULA: C17H16ClNO4S
MOLECULAR WEIGHT: 365.83124
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCS(=O)(=O)Cl
Structure:
CAS RN: 890153-34-1
CAS Name: 4-[(3-bromophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3-bromobenzoyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(3-bromobenzoyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(3-bromophenyl)carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C16H21BrN2O3
MOLECULAR WEIGHT: 369.25354
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Br
Structure:
CAS RN: 867333-30-0
CAS Name: 4-[(4-bromophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-bromophenyl)carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C16H21BrN2O3
MOLECULAR WEIGHT: 369.25354
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 25507-04-4
CAS Name: hexadecanoic acid [6-[2-chloro-1-[[(1-methyl-4-propyl-2-pyrrolidinyl)-oxomethyl]amino]propyl]-4,5-dihydroxy-2-(methylthio)-3-oxanyl] ester hydrochloride
OPENEYE Name: [6-[2-chloro-1-[(1-methyl-4-propyl-pyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-tetrahydropyran-3-yl] hexadecanoate hydrochloride
IUPAC Name: [6-[2-chloro-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate hydrochloride
SYSTEMATIC NAME: [6-[2-chloranyl-1-[(1-methyl-4-propyl-pyrrolidin-2-yl)carbonylamino]propyl]-2-methylsulfanyl-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate hydrochloride
MOLECULAR FORMULA: C34H64Cl2N2O6S
MOLECULAR WEIGHT: 699.85276
SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)C(C(C)Cl)NC(=O)C2CC(CN2C)CCC)O)O.Cl
Structure:
CAS RN: 852399-79-2
CAS Name: [4-(4-morpholinylsulfonyl)phenyl]methanamine hydrochloride
OPENEYE Name: (4-morpholinosulfonylphenyl)methanamine hydrochloride
IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)methanamine hydrochloride
SYSTEMATIC NAME: (4-morpholin-4-ylsulfonylphenyl)methanamine hydrochloride
MOLECULAR FORMULA: C11H17ClN2O3S
MOLECULAR WEIGHT: 292.78228
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CN.Cl
Structure:
CAS RN: 292068-77-0
CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 5-(tert-butoxycarbonylamino)benzothiophene-2-carboxylic acid
IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O
Structure:
CAS RN: 292070-01-0
CAS Name: 6-amino-1H-benzimidazole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 6-amino-1H-benzimidazole-2-carboxylate
IUPAC Name: methyl 6-amino-1H-benzimidazole-2-carboxylate
SYSTEMATIC NAME: methyl 6-azanyl-1H-benzimidazole-2-carboxylate
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC(=O)C1=NC2=C(N1)C=C(C=C2)N
Structure:
CAS RN: 351226-57-8
CAS Name: 2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid hydrochloride
OPENEYE Name: 2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid hydrochloride
IUPAC Name: 2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid hydrochloride
SYSTEMATIC NAME: 2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid hydrochloride
MOLECULAR FORMULA: C9H8Cl2N2O2
MOLECULAR WEIGHT: 247.07802
SMILES: C1=CC2=C(C=C1C(=O)O)NC(=N2)CCl.Cl
Structure:
CAS RN: 372953-13-4
CAS Name: 6-amino-1H-benzimidazole-2-carboxylic acid hydrochloride
OPENEYE Name: 6-amino-1H-benzimidazole-2-carboxylic acid hydrochloride
IUPAC Name: 6-amino-1H-benzimidazole-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 6-azanyl-1H-benzimidazole-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C8H8ClN3O2
MOLECULAR WEIGHT: 213.62102
SMILES: C1=CC2=C(C=C1N)NC(=N2)C(=O)O.Cl
Structure:
CAS RN: 90924-43-9
CAS Name: 6-methoxy-1H-indole-3-carboxylic acid
OPENEYE Name: 6-methoxy-1H-indole-3-carboxylic acid
IUPAC Name: 6-methoxy-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 6-methoxy-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC1=CC2=C(C=C1)C(=CN2)C(=O)O
Structure:
CAS RN: 203937-50-2
CAS Name: 4-methoxy-1H-indole-3-carboxylic acid
OPENEYE Name: 4-methoxy-1H-indole-3-carboxylic acid
IUPAC Name: 4-methoxy-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 4-methoxy-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC1=CC=CC2=C1C(=CN2)C(=O)O
Structure:
CAS RN: 885957-28-8
CAS Name: 2,5-difluorobenzenecarboximidamide hydrochloride
OPENEYE Name: 2,5-difluorobenzamidine hydrochloride
IUPAC Name: 2,5-difluorobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 2,5-bis(fluoranyl)benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H7ClF2N2
MOLECULAR WEIGHT: 192.593686
SMILES: C1=CC(=C(C=C1F)C(=N)N)F.Cl
Structure:
CAS RN: 188813-05-0
CAS Name: 3-bromo-5-chlorobenzaldehyde
OPENEYE Name: 3-bromo-5-chloro-benzaldehyde
IUPAC Name: 3-bromo-5-chlorobenzaldehyde
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrClO
MOLECULAR WEIGHT: 219.46306
SMILES: C1=C(C=C(C=C1Cl)Br)C=O
Structure:
CAS RN: 84053-14-5
CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-sulfamoylphenyl)propanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfamoylphenyl)propanoic acid
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfamoylphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfamoylphenyl)propanoic acid
MOLECULAR FORMULA: C14H20N2O6S
MOLECULAR WEIGHT: 344.3834
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)S(=O)(=O)N)C(=O)O
Structure:
CAS RN: 40512-48-9
CAS Name: 2-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-2-(o-tolyl)acetic acid
IUPAC Name: 2-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SYSTEMATIC NAME: 2-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CC1=CC=CC=C1C(C(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 116632-40-7
CAS Name: 2-chloro-1-iodo-3-methylbenzene
OPENEYE Name: 2-chloro-1-iodo-3-methyl-benzene
IUPAC Name: 2-chloro-1-iodo-3-methylbenzene
SYSTEMATIC NAME: 2-chloranyl-1-iodanyl-3-methyl-benzene
MOLECULAR FORMULA: C7H6ClI
MOLECULAR WEIGHT: 252.48001
SMILES: CC1=C(C(=CC=C1)I)Cl
Structure:
CAS RN: 21977-09-3
CAS Name: 2-(4-morpholinyl)acetaldehyde hydrochloride
OPENEYE Name: 2-morpholinoacetaldehyde hydrochloride
IUPAC Name: 2-morpholin-4-ylacetaldehyde hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethanal hydrochloride
MOLECULAR FORMULA: C6H12ClNO2
MOLECULAR WEIGHT: 165.61798
SMILES: C1COCCN1CC=O.Cl
Structure:
No comments:
Post a Comment