Chem
J-GLOBAL ID：200907005296888712   Nikkaji number：J841.896I

(2R,4S,5S)-N-[(S)-1-(1H-Imidazol-2-yl)-2-methylpropyl]-2-benzyl-4-hydroxy-5-[(isopropyloxycarbonyl)amino]-6-phenylhexanamide

(2R,4S,5S)-N-[(S)-1-(1H-イミダゾール-2-イル)-2-メチルプロピル]-2-ベンジル-4-ヒドロキシ-5-[(イソプロピルオキシカルボニル)アミノ]-6-フェニルヘキサンアミド
Substance type：
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
Molecular formula： C30H40N4O4
Molecular formula furigana： C30-H40-N4-O4
Molecular weight： 520.674
InChI： InChI=1S/C30H40N4O4/c1-20(2)27(28-31-15-16-32-28)34-29(36)24(17-22-11-7-5-8-12-22)19-26(35)25(33-30(37)38-21(3)4)18-23-13-9-6-10-14-23/h5-16,20-21,24-27,35H,17-19H2,1-4H3,(H,31,32)(H,33,37)(H,34,36)/t24-,25+,26+,27+/m1/s1
InChI key： FBUCBUKXHILQOJ-WKAQUBQDSA-N
SMILES： CC(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)c1ncc[nH]1
Systematic name  (3)：
  • (2R,4S,5S)-N-[(S)-1-(1H-イミダゾール-2-イル)-2-メチルプロピル]-2-ベンジル-4-ヒドロキシ-5-[(イソプロピルオキシカルボニル)アミノ]-6-フェニルヘキサンアミド
  • プロパン-2-イル N-[(2S,3S,5R)-5-ベンジル-3-ヒドロキシ-5-{[(1S)-1-(1H-イミダゾール-2-イル)-2-メチルプロピル]カルバモイル}-1-フェニルペンタン-2-イル]カルバマート
  • propan-2-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]carbamoyl}-1-phenylpentan-2-yl]carbamate
Other name (1)：
  • (2R,4S,5S)-N-[(S)-1-(1H-Imidazol-2-yl)-2-methylpropyl]-2-benzyl-4-hydroxy-5-[(isopropyloxycarbonyl)amino]-6-phenylhexanamide
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