Chem
J-GLOBAL ID:200907070456729418
Nikkaji number:J1.767.712H
3-(1H-1,2,3-Triazole-4-yl)-Ala-Phe-Gly-Phe-Gly-OH
3-(1H-1,2,3-トリアゾール-4-イル)-Ala-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:
C27 H32 N8 O6
Molecular formula furigana:
C27-H32-N8-O6
Molecular weight:
564.603
InChI:
InChI=1S/C27H32N8O6/c28-20(13-19-14-31-35-34-19)25(39)33-22(12-18-9-5-2-6-10-18)27(41)29-15-23(36)32-21(26(40)30-16-24(37)38)11-17-7-3-1-4-8-17/h1-10,14,20-22H,11-13,15-16,28H2,(H,29,41)(H,30,40)(H,32,36)(H,33,39)(H,37,38)(H,31,34,35)/t20-,21-,22-/m0/s1
InChI key:
YWLSUWJGYCNKNO-FKBYEOEOSA-N
SMILES:
N[C@@H](Cc1c[nH]nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name (3):
3-(1H-1,2,3-トリアゾール-4-イル)-Ala-Phe-Gly-Phe-Gly-OH
2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-(1H-1,2,3-トリアゾール-4-イル)プロパンアミド]-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-[(2S)-2-amino-3-(1H-1,2,3-triazol-4-yl)propanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1):
3-(1H-1,2,3-Triazole-4-yl)-Ala-Phe-Gly-Phe-Gly-OH
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