Chem
J-GLOBAL ID：200907048511837742   Nikkaji number：J453.963J

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

(2R,4S,5S)-N-(4-ピリジニルメチル)-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-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： C44H57N5O6
Molecular formula furigana： C44-H57-N5-O6
Molecular weight： 751.969
InChI： InChI=1S/C44H57N5O6/c1-5-7-20-37(42(52)48-38(25-30(3)4)40(50)27-33(6-2)41(51)46-28-31-21-23-45-24-22-31)47-43(53)39(49-44(54)55-29-32-14-9-8-10-15-32)26-35-18-13-17-34-16-11-12-19-36(34)35/h8-19,21-24,30,33,37-40,50H,5-7,20,25-29H2,1-4H3,(H,46,51)(H,47,53)(H,48,52)(H,49,54)/t33-,37+,38+,39+,40+/m1/s1
InChI key： XGHJOSWCFYFZFF-XLDGMLQKSA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccncc1
Systematic name  (3)：
  • (2R,4S,5S)-N-(4-ピリジニルメチル)-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-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-エチル-3-ヒドロキシ-6-メチル-1-{[(ピリジン-4-イル)メチル]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-(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-ethyl-3-hydroxy-6-methyl-1-{[(pyridin-4-yl)methyl]carbamoyl}heptan-4-yl]carbamoyl}pentyl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
Other name (1)：
  • (2R,4S,5S)-N-(4-Pyridinylmethyl)-5-[[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino]-2-ethyl-4-hydroxy-7-methyloctanamide
Thsaurus map：
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