Chem
J-GLOBAL ID：200907044808729641   Nikkaji number：J455.404C

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

(2R,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-(2-ヒドロキシエチル)-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： C42H60N4O7
Molecular formula furigana： C42-H60-N4-O7
Molecular weight： 732.963
InChI： InChI=1S/C42H60N4O7/c1-6-7-20-35(41(51)46(26-29(4)5)37(23-28(2)3)38(48)25-33(21-22-47)39(43)49)44-40(50)36(45-42(52)53-27-30-14-9-8-10-15-30)24-32-18-13-17-31-16-11-12-19-34(31)32/h8-19,28-29,33,35-38,47-48H,6-7,20-27H2,1-5H3,(H2,43,49)(H,44,50)(H,45,52)/t33-,35+,36+,37+,38+/m1/s1
InChI key： SLFHTFAMWCZMDJ-YHKVADFHSA-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](CCO)C(=O)N
Systematic name  (3)：
  • (2R,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-(2-ヒドロキシエチル)-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-{[(1R,3S,4S)-1-カルバモイル-3-ヒドロキシ-1-(2-ヒドロキシエチル)-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-{[(1R,3S,4S)-1-carbamoyl-3-hydroxy-1-(2-hydroxyethyl)-6-methylheptan-4-yl](2-methylpropyl)carbamoyl}pentyl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
Other name (1)：
  • (2R,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-(2-hydroxyethyl)-4-hydroxy-7-methyloctanamide
Thsaurus map：
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