Chem
J-GLOBAL ID：200907087248433564   Nikkaji number：J1.767.724A

N2-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-N6-Boc-Lys-Phe-Gly-OH

N2-[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]-N6-Boc-Lys-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： C29H41N7O9
Molecular formula furigana： C29-H41-N7-O9
Molecular weight： 631.687
InChI： InChI=1S/C29H41N7O9/c1-28(2,3)45-27(44)30-14-10-9-13-19(32-25(41)21-17-36(35-34-21)29(4,5)26(42)43)24(40)33-20(23(39)31-16-22(37)38)15-18-11-7-6-8-12-18/h6-8,11-12,17,19-20H,9-10,13-16H2,1-5H3,(H,30,44)(H,31,39)(H,32,41)(H,33,40)(H,37,38)(H,42,43)/t19-,20-/m0/s1
InChI key： BVFVFAJJOHRQCP-PMACEKPBSA-N
SMILES： CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cn(nn1)C(C)(C)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • N2-[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]-N6-Boc-Lys-Phe-Gly-OH
  • 2-(4-{[(1S)-5-{[(tert-ブトキシ)カルボニル]アミノ}-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}ペンチル]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-{[(1S)-5-{[(tert-butoxy)carbonyl]amino}-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-methylpropanoic acid
Other name (1)：
  • N2-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-N6-Boc-Lys-Phe-Gly-OH
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