Chem
J-GLOBAL ID：200907000507302300   Nikkaji number：J1.767.699G

N-[1-[(S)-2-Amino-3-carboxypropyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH

N-[1-[(S)-2-アミノ-3-カルボキシプロピル]-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-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： C29H34N8O8
Molecular formula furigana： C29-H34-N8-O8
Molecular weight： 622.639
InChI： InChI=1S/C29H34N8O8/c30-20(13-25(39)40)16-37-17-23(35-36-37)29(45)34-22(12-19-9-5-2-6-10-19)28(44)31-14-24(38)33-21(27(43)32-15-26(41)42)11-18-7-3-1-4-8-18/h1-10,17,20-22H,11-16,30H2,(H,31,44)(H,32,43)(H,33,38)(H,34,45)(H,39,40)(H,41,42)/t20-,21-,22-/m0/s1
InChI key： LNRSCZCAEOCUHK-FKBYEOEOSA-N
SMILES： N[C@@H](CC(=O)O)Cn1cc(nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • N-[1-[(S)-2-アミノ-3-カルボキシプロピル]-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
  • (3S)-3-アミノ-4-(4-{[(1S)-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}メチル)カルバモイル]-2-フェニルエチル]カルバモイル}-1H-1,2,3-トリアゾール-1-イル)ブタン酸
  • (3S)-3-amino-4-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)butanoic acid
Other name (1)：
  • N-[1-[(S)-2-Amino-3-carboxypropyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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