Chem
J-GLOBAL ID：200907058394025591   Nikkaji number：J453.960E

(2S,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-[(2S)-2,3-dihydroxypropyl]-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-[(2S)-2,3-ジ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： C43H62N4O8
Molecular formula furigana： C43-H62-N4-O8
Molecular weight： 762.989
InChI： InChI=1S/C43H62N4O8/c1-6-7-20-36(42(53)47(25-29(4)5)38(21-28(2)3)39(50)24-33(40(44)51)22-34(49)26-48)45-41(52)37(46-43(54)55-27-30-14-9-8-10-15-30)23-32-18-13-17-31-16-11-12-19-35(31)32/h8-19,28-29,33-34,36-39,48-50H,6-7,20-27H2,1-5H3,(H2,44,51)(H,45,52)(H,46,54)/t33-,34+,36+,37+,38+,39+/m1/s1
InChI key： YQDBQZQLOGYIPW-IFDGPNBFSA-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@H](O)CO)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-[(2S)-2,3-ジ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-{[(1S,3S,4S)-1-カルバモイル-1-[(2S)-2,3-ジヒドロキシプロピル]-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-[(2S)-2,3-dihydroxypropyl]-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-[(2S)-2,3-dihydroxypropyl]-4-hydroxy-7-methyloctanamide
Thsaurus map：
Thesaurus Map

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