Chem
J-GLOBAL ID：200907024231133190   Nikkaji number：J455.405A

(2R,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-(3-hydroxypropyl)-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-(3-ヒドロキシプロピル)-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： C43H62N4O7
Molecular formula furigana： C43-H62-N4-O7
Molecular weight： 746.990
InChI： InChI=1S/C43H62N4O7/c1-6-7-22-36(42(52)47(27-30(4)5)38(24-29(2)3)39(49)26-34(40(44)50)20-14-23-48)45-41(51)37(46-43(53)54-28-31-15-9-8-10-16-31)25-33-19-13-18-32-17-11-12-21-35(32)33/h8-13,15-19,21,29-30,34,36-39,48-49H,6-7,14,20,22-28H2,1-5H3,(H2,44,50)(H,45,51)(H,46,53)/t34-,36+,37+,38+,39+/m1/s1
InChI key： ZRTBOYBXELARLP-DOWKINRCSA-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](CCCO)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-(3-ヒドロキシプロピル)-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-{[(1R,3S,4S)-1-カルバモイル-3-ヒドロキシ-1-(3-ヒドロキシプロピル)-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-(3-hydroxypropyl)-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-(3-hydroxypropyl)-4-hydroxy-7-methyloctanamide
Thsaurus map：
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