Chem
J-GLOBAL ID：200907027792399938   Nikkaji number：J1.430.862H

RB-400

RB-400
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： C34H42N6O9
Molecular formula furigana： C34-H42-N6-O9
Molecular weight： 678.743
InChI： InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
InChI key： QUSCQANKQSFCGJ-FWEHEUNISA-N
SMILES： CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (3)：
  • Nα-(カルボキシアセチル)-Trp-N-メチル-Nle-Asp-Phe-NH2
  • (3S)-3-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}-3-[(2S)-2-[(2S)-2-(2-カルボキシアセトアミド)-3-(1H-インドール-3-イル)-N-メチルプロパンアミド]ヘキサンアミド]プロパン酸
  • (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-(2-carboxyacetamido)-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]propanoic acid
Other name (2)：
  • Nα-(Carboxyacetyl)-Trp-N-methyl-Nle-Asp-Phe-NH2
  • RB-400
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