Chem
J-GLOBAL ID：200907017733870583   Nikkaji number：J455.402G

(2S,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-isopropyl-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-イソプロピル-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： C43H62N4O6
Molecular formula furigana： C43-H62-N4-O6
Molecular weight： 730.991
InChI： InChI=1S/C43H62N4O6/c1-8-9-22-36(42(51)47(26-29(4)5)38(23-28(2)3)39(48)25-35(30(6)7)40(44)49)45-41(50)37(46-43(52)53-27-31-16-11-10-12-17-31)24-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,28-30,35-39,48H,8-9,22-27H2,1-7H3,(H2,44,49)(H,45,50)(H,46,52)/t35-,36-,37-,38-,39-/m0/s1
InChI key： VFSMOEMYZZOFLF-MQDBWYGVSA-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](C(C)C)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-イソプロピル-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-3-ヒドロキシ-6-メチル-1-(プロパン-2-イル)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-3-hydroxy-6-methyl-1-(propan-2-yl)heptan-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-isopropyl-4-hydroxy-7-methyloctanamide
Thsaurus map：
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