Chem
J-GLOBAL ID：200907050325963970   Nikkaji number：J1.767.717I

N-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-O-tert-butyl-Thr-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]-O-tert-ブチル-Thr-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： C26H36N6O8
Molecular formula furigana： C26-H36-N6-O8
Molecular weight： 560.608
InChI： InChI=1S/C26H36N6O8/c1-15(40-25(2,3)4)20(29-22(36)18-14-32(31-30-18)26(5,6)24(38)39)23(37)28-17(21(35)27-13-19(33)34)12-16-10-8-7-9-11-16/h7-11,14-15,17,20H,12-13H2,1-6H3,(H,27,35)(H,28,37)(H,29,36)(H,33,34)(H,38,39)/t15-,17+,20+/m1/s1
InChI key： QKBADGIFTXYDRO-SYNHAJSKSA-N
SMILES： C[C@@H](OC(C)(C)C)[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)：
  • 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]-O-tert-ブチル-Thr-Phe-Gly-OH
  • 2-(4-{[(1S,2R)-2-(tert-ブトキシ)-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}プロピル]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,2R)-2-(tert-butoxy)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}propyl]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]-O-tert-butyl-Thr-Phe-Gly-OH
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