Chem
J-GLOBAL ID：200907062386941250   Nikkaji number：J453.954K

(2S,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-ethyl-4-hydroxy-7-methyloctanamide

(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-2-エチル-4-ヒドロキシ-7-メチルオクタンアミド
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： C42H60N4O6
Molecular formula furigana： C42-H60-N4-O6
Molecular weight： 716.964
InChI： InChI=1S/C42H60N4O6/c1-7-9-22-35(41(50)46(26-29(5)6)37(23-28(3)4)38(47)25-31(8-2)39(43)48)44-40(49)36(45-42(51)52-27-30-16-11-10-12-17-30)24-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,28-29,31,35-38,47H,7-9,22-27H2,1-6H3,(H2,43,48)(H,44,49)(H,45,51)/t31-,35-,36-,37-,38-/m0/s1
InChI key： GEAIDWNMZHOUGE-DUKNTCSXSA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)[C@@H](CC(C)C)[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-2-エチル-4-ヒドロキシ-7-メチルオクタンアミド
  • ベンジル N-[(1S)-1-{[(1S)-1-{[(1S,3S,4S)-1-カルバモイル-1-エチル-3-ヒドロキシ-6-メチルヘプタン-4-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-{[(1S,3S,4S)-1-carbamoyl-1-ethyl-3-hydroxy-6-methylheptan-4-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-2-ethyl-4-hydroxy-7-methyloctanamide
Thsaurus map：
Thesaurus Map

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