Chem
J-GLOBAL ID：200907090920161781   Nikkaji number：J453.950H

(2S,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-6-cyclohexyl-2-ethyl-4-hydroxyhexanamide

(2S,4S,5S)-N-イソブチル-5-[N-[N-ベンジルオキシカルボニル-3-(1-ナフチル)-L-アラニル]-L-ノルロイシル]アミノ-6-シクロヘキシル-2-エチル-4-ヒドロキシヘキサンアミド
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： C45H64N4O6
Molecular formula furigana： C45-H64-N4-O6
Molecular weight： 757.029
InChI： InChI=1S/C45H64N4O6/c1-5-7-25-38(44(53)49(29-31(3)4)40(26-32-17-10-8-11-18-32)41(50)28-34(6-2)42(46)51)47-43(52)39(48-45(54)55-30-33-19-12-9-13-20-33)27-36-23-16-22-35-21-14-15-24-37(35)36/h9,12-16,19-24,31-32,34,38-41,50H,5-8,10-11,17-18,25-30H2,1-4H3,(H2,46,51)(H,47,52)(H,48,54)/t34-,38-,39-,40-,41-/m0/s1
InChI key： ORDOMIJWIHCTBQ-IDWKNVNISA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](CC)C(=O)N
Systematic name  (3)：
  • (2S,4S,5S)-N-イソブチル-5-[N-[N-ベンジルオキシカルボニル-3-(1-ナフチル)-L-アラニル]-L-ノルロイシル]アミノ-6-シクロヘキシル-2-エチル-4-ヒドロキシヘキサンアミド
  • ベンジル N-[(1S)-1-{[(1S)-1-{[(2S,3S,5S)-5-カルバモイル-1-シクロヘキシル-5-エチル-3-ヒドロキシペンタン-2-イル](2-メチルプロピル)カルバモイル}ペンチル]カルバモイル}-2-(ナフタレン-1-イル)エチル]カルバマート
  • benzyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5S)-5-carbamoyl-1-cyclohexyl-5-ethyl-3-hydroxypentan-2-yl](2-methylpropyl)carbamoyl}pentyl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
Other name (1)：
  • (2S,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-6-cyclohexyl-2-ethyl-4-hydroxyhexanamide
Thsaurus map：
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