Chem
J-GLOBAL ID：200907002769067690
Nikkaji number：J2.180.483E
(2R)-2-Benzyl-2,3,4,5-tetrahydro-4-[(R)-2-hydroxy-1-phenylethyl]-3-oxo-1H-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester
(2R)-2-ベンジル-2,3,4,5-テトラヒドロ-4-[(R)-2-ヒドロキシ-1-フェニルエチル]-3-オキソ-1H-1,4-ベンゾジアゼピン-1-カルボン酸tert-ブチル
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： C29H32N2O4
Molecular formula furigana： C29-H32-N2-O4
Molecular weight： 472.585
InChI：
InChI=1S/C29H32N2O4/c1-29(2,3)35-28(34)31-24-17-11-10-16-23(24)19-30(26(20-32)22-14-8-5-9-15-22)27(33)25(31)18-21-12-6-4-7-13-21/h4-17,25-26,32H,18-20H2,1-3H3/t25-,26+/m1/s1
InChI key：
DNGPNWQGZBTNHO-FTJBHMTQSA-N
SMILES：
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)C(=O)N(Cc2ccccc12)[C@@H](CO)c1ccccc1
Systematic name (3)：
- (2R)-2-ベンジル-2,3,4,5-テトラヒドロ-4-[(R)-2-ヒドロキシ-1-フェニルエチル]-3-オキソ-1H-1,4-ベンゾジアゼピン-1-カルボン酸tert-ブチル
- tert-ブチル (2R)-2-ベンジル-4-[(1R)-2-ヒドロキシ-1-フェニルエチル]-3-オキソ-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-1-カルボキシラート
- tert-butyl (2R)-2-benzyl-4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-1-carboxylate
- (2R)-2-Benzyl-2,3,4,5-tetrahydro-4-[(R)-2-hydroxy-1-phenylethyl]-3-oxo-1H-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester
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