Chem
J-GLOBAL ID:200907084677898185
Nikkaji number:J1.767.697K
N-[1-(4-Aminophenyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
N-[1-(4-アミノフェニル)-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:
C31 H32 N8 O6
Molecular formula furigana:
C31-H32-N8-O6
Molecular weight:
612.647
InChI:
InChI=1S/C31H32N8O6/c32-22-11-13-23(14-12-22)39-19-26(37-38-39)31(45)36-25(16-21-9-5-2-6-10-21)30(44)33-17-27(40)35-24(29(43)34-18-28(41)42)15-20-7-3-1-4-8-20/h1-14,19,24-25H,15-18,32H2,(H,33,44)(H,34,43)(H,35,40)(H,36,45)(H,41,42)/t24-,25-/m0/s1
InChI key:
WBKNCKBIUQHUOV-DQEYMECFSA-N
SMILES:
Nc1ccc(cc1)n1cc(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-(4-アミノフェニル)-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-(4-アミノフェニル)-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-(4-aminophenyl)-1H-1,2,3-triazol-4-yl]formamido}-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1):
N-[1-(4-Aminophenyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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