Chem
J-GLOBAL ID：200907004022196354   Nikkaji number：J1.767.722E

N-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-S-trityl-Cys-Phe-Gly-OH

N-[1-(1-カルボキシ-1-メチルエチル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-S-トリチル-Cys-Phe-Gly-OH
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： C40H40N6O7S
Molecular formula furigana： C40-H40-N6-O7-S
Molecular weight： 748.860
InChI： InChI=1S/C40H40N6O7S/c1-39(2,38(52)53)46-25-32(44-45-46)36(50)43-33(37(51)42-31(35(49)41-24-34(47)48)23-27-15-7-3-8-16-27)26-54-40(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25,31,33H,23-24,26H2,1-2H3,(H,41,49)(H,42,51)(H,43,50)(H,47,48)(H,52,53)/t31-,33-/m0/s1
InChI key： GOCRPMGLAKGHIM-WEZIJMHWSA-N
SMILES： CC(C)(C(=O)O)n1cc(nn1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • N-[1-(1-カルボキシ-1-メチルエチル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-S-トリチル-Cys-Phe-Gly-OH
  • 2-(4-{[(1R)-1-{[(1S)-1-[(カルボキシメチル)カルバモイル]-2-フェニルエチル]カルバモイル}-2-[(トリフェニルメチル)スルファニル]エチル]カルバモイル}-1H-1,2,3-トリアゾール-1-イル)-2-メチルプロパン酸
  • 2-(4-{[(1R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-[(triphenylmethyl)sulfanyl]ethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-methylpropanoic acid
Other name (1)：
  • N-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-S-trityl-Cys-Phe-Gly-OH
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