Chem
J-GLOBAL ID：200907051854172119   Nikkaji number：J351.720I

A-57282

A-57282
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： C43H53N7O10
Molecular formula furigana： C43-H53-N7-O10
Molecular weight： 827.936
InChI： InChI=1S/C43H53N7O10/c1-43(2,3)60-42(58)50-34(23-29-25-46-31-19-11-10-18-30(29)31)39(55)47-32(20-12-13-21-45-41(57)59-26-28-16-8-5-9-17-28)38(54)49-35(24-36(51)52)40(56)48-33(37(44)53)22-27-14-6-4-7-15-27/h4-11,14-19,25,32-35,46H,12-13,20-24,26H2,1-3H3,(H2,44,53)(H,45,57)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)/t32-,33-,34-,35-/m0/s1
InChI key： LOSDJBAZFJBNAZ-BBACVFHCSA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (4)：
  • N-(tert-ブチルオキシカルボニル)-L-Trp-N6-(ベンジルオキシカルボニル)-L-Lys-L-Asp-L-Phe-NH2
  • N-Boc-L-Trp-[(2S)-2-アミノ*-6-ベンジルオキシカルボニルアミノヘキサノイル]-L-Asp-L-Phe-NH2
  • (3S)-3-[(2S)-6-{[(ベンジルオキシ)カルボニル]アミノ}-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-3-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-6-{[(benzyloxy)carbonyl]amino}-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
Other name (2)：
  • A-57282
  • N-Boc-L-Trp-[(2S)-2-Amino*-6-benzyloxycarbonylaminohexanoyl]-L-Asp-L-Phe-NH2
Thsaurus map：
Thesaurus Map

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