Chem
J-GLOBAL ID：200907034940953318
Nikkaji number：J2.745.139J
(2S)-N-(3-Chlorobenzyl)-1-[(2R)-2-(acetylamino)-3-cyclohexylpropionyl]pyrrolidine-2-carboxamide
(2S)-N-(3-クロロベンジル)-1-[(2R)-2-(アセチルアミノ)-3-シクロヘキシルプロピオニル]ピロリジン-2-カルボアミド
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： C23H32ClN3O3
Molecular formula furigana： C23-H32-CL-N3-O3
Molecular weight： 433.980
InChI：
InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
InChI key：
NEBILTDHZWSWJN-RTWAWAEBSA-N
SMILES：
CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1
Systematic name (3)：
- (2S)-N-(3-クロロベンジル)-1-[(2R)-2-(アセチルアミノ)-3-シクロヘキシルプロピオニル]ピロリジン-2-カルボアミド
- (2S)-N-[(3-クロロフェニル)メチル]-1-[(2R)-3-シクロヘキシル-2-アセトアミドプロパノイル]ピロリジン-2-カルボキサミド
- (2S)-N-[(3-chlorophenyl)methyl]-1-[(2R)-3-cyclohexyl-2-acetamidopropanoyl]pyrrolidine-2-carboxamide
- (2S)-N-(3-Chlorobenzyl)-1-[(2R)-2-(acetylamino)-3-cyclohexylpropionyl]pyrrolidine-2-carboxamide
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