Chem
J-GLOBAL ID：200907005001047487
Nikkaji number：J1.501.069J
(3R)-1-(2,2-Dimethylpropyl)-2-oxo-5α-(1-naphthyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzothiazepine-3β-acetic acid
(3R)-1-(2,2-ジメチルプロピル)-2-オキソ-5α-(1-ナフチル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾチアゼピン-3β-酢酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H26ClNO3S
Molecular formula furigana： C26-H26-CL-N-O3-S
Molecular weight： 468.010
InChI：
InChI=1S/C26H26ClNO3S/c1-26(2,3)15-28-21-12-11-17(27)13-20(21)24(32-22(25(28)31)14-23(29)30)19-10-6-8-16-7-4-5-9-18(16)19/h4-13,22,24H,14-15H2,1-3H3,(H,29,30)/t22-,24-/m1/s1
InChI key：
KGJWJWANAXKLRA-ISKFKSNPSA-N
SMILES：
CC(C)(C)CN1c2ccc(Cl)cc2[C@H](S[C@H](CC(=O)O)C1=O)c1cccc2ccccc12
Systematic name (3)：
- (3R)-1-(2,2-ジメチルプロピル)-2-オキソ-5α-(1-ナフチル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾチアゼピン-3β-酢酸
- 2-[(3R,5R)-7-クロロ-1-(2,2-ジメチルプロピル)-5-(ナフタレン-1-イル)-2-オキソ-1,2,3,5-テトラヒドロ-4,1-ベンゾチアゼピン-3-イル]酢酸
- 2-[(3R,5R)-7-chloro-1-(2,2-dimethylpropyl)-5-(naphthalen-1-yl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzothiazepin-3-yl]acetic acid
- (3R)-1-(2,2-Dimethylpropyl)-2-oxo-5α-(1-naphthyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzothiazepine-3β-acetic acid
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