Chem
J-GLOBAL ID：200907037924146274   Nikkaji number：J453.966D

(2S,4S,5S)-N-Isobutyl-5-[[N-(N-benzyloxycarbonyl-L-phenylalanyl)-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-L-フェニルアラニル)-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： C38H58N4O6
Molecular formula furigana： C38-H58-N4-O6
Molecular weight： 666.904
InChI： InChI=1S/C38H58N4O6/c1-7-9-20-31(36(45)41-32(21-26(3)4)34(43)23-30(8-2)35(44)39-24-27(5)6)40-37(46)33(22-28-16-12-10-13-17-28)42-38(47)48-25-29-18-14-11-15-19-29/h10-19,26-27,30-34,43H,7-9,20-25H2,1-6H3,(H,39,44)(H,40,46)(H,41,45)(H,42,47)/t30-,31-,32-,33-,34-/m0/s1
InChI key： XHEOUEKEUIIKFG-LJADHVKFSA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](CC)C(=O)NCC(C)C
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-L-フェニルアラニル)-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-エチル-3-ヒドロキシ-6-メチル-1-[(2-メチルプロピル)カルバモイル]ヘプタン-4-イル]カルバモイル}ペンチル]カルバモイル}-2-フェニルエチル]カルバマート
  • benzyl N-[(1S)-1-{[(1S)-1-{[(1S,3S,4S)-1-ethyl-3-hydroxy-6-methyl-1-[(2-methylpropyl)carbamoyl]heptan-4-yl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamate
Other name (1)：
  • (2S,4S,5S)-N-Isobutyl-5-[[N-(N-benzyloxycarbonyl-L-phenylalanyl)-L-norleucyl]amino]-2-ethyl-4-hydroxy-7-methyloctanamide
Thsaurus map：
Thesaurus Map

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