Chem
J-GLOBAL ID:200907055893236952
Nikkaji number:J1.767.696B
N-[1-(α-Carboxybenzyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
N-[1-(α-カルボキシベンジル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
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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:
C33 H33 N7 O8
Molecular formula furigana:
C33-H33-N7-O8
Molecular weight:
655.668
InChI:
InChI=1S/C33H33N7O8/c41-27(36-24(30(44)35-19-28(42)43)16-21-10-4-1-5-11-21)18-34-31(45)25(17-22-12-6-2-7-13-22)37-32(46)26-20-40(39-38-26)29(33(47)48)23-14-8-3-9-15-23/h1-15,20,24-25,29H,16-19H2,(H,34,45)(H,35,44)(H,36,41)(H,37,46)(H,42,43)(H,47,48)/t24-,25-,29?/m0/s1
InChI key:
XRLJLEPYUPOGQM-CXBRBUDWSA-N
SMILES:
OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(nn1)C(C(=O)O)c1ccccc1
Systematic name (3):
N-[1-(α-カルボキシベンジル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
2-[(2S)-2-{2-[(2S)-2-({1-[カルボキシ(フェニル)メチル]-1H-1,2,3-トリアゾール-4-イル}ホルムアミド)-3-フェニルプロパンアミド]アセトアミド}-3-フェニルプロパンアミド]酢酸
2-[(2S)-2-{2-[(2S)-2-({1-[carboxy(phenyl)methyl]-1H-1,2,3-triazol-4-yl}formamido)-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1):
N-[1-(α-Carboxybenzyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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