Chem
J-GLOBAL ID：200907097163233952   Nikkaji number：J453.955I

(2R,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-(tert-butoxycarbonylmethyl)-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-(tert-ブトキシカルボニルメチル)-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： C46H66N4O8
Molecular formula furigana： C46-H66-N4-O8
Molecular weight： 803.054
InChI： InChI=1S/C46H66N4O8/c1-9-10-23-37(44(55)50(28-31(4)5)39(24-30(2)3)40(51)26-35(42(47)53)27-41(52)58-46(6,7)8)48-43(54)38(49-45(56)57-29-32-17-12-11-13-18-32)25-34-21-16-20-33-19-14-15-22-36(33)34/h11-22,30-31,35,37-40,51H,9-10,23-29H2,1-8H3,(H2,47,53)(H,48,54)(H,49,56)/t35-,37+,38+,39+,40+/m1/s1
InChI key： SPZYUSANFZNMRW-SRPPVVCWSA-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](CC(=O)OC(C)(C)C)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-(tert-ブトキシカルボニルメチル)-4-ヒドロキシ-7-メチルオクタンアミド
  • tert-ブチル (3R,5S,6S)-6-[(2S)-2-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-(ナフタレン-1-イル)プロパンアミド]-N-(2-メチルプロピル)ヘキサンアミド]-3-カルバモイル-5-ヒドロキシ-8-メチルノナノアート
  • tert-butyl (3R,5S,6S)-6-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(naphthalen-1-yl)propanamido]-N-(2-methylpropyl)hexanamido]-3-carbamoyl-5-hydroxy-8-methylnonanoate
Other name (1)：
  • (2R,4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-2-(tert-butoxycarbonylmethyl)-4-hydroxy-7-methyloctanamide
Thsaurus map：
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