Chem
J-GLOBAL ID：200907082105956130   Nikkaji number：J1.767.709H

3-[1-(1-Phenyl-2-deoxy-1-thio-α-D-galactopyranose-2-yl)-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH ester

3-[1-(1-フェニル-2-デオキシ-1-チオ-α-D-ガラクトピラノース-2-イル)-1H-1,2,3-トリアゾール-4-イル]-Ala-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： C39H46N8O10S
Molecular formula furigana： C39-H46-N8-O10-S
Molecular weight： 818.900
InChI： InChI=1S/C39H46N8O10S/c40-27(18-26-21-47(46-45-26)35-34(53)33(52)30(22-48)57-39(35,58)25-14-8-3-9-15-25)36(54)44-29(17-24-12-6-2-7-13-24)38(56)41-19-31(49)43-28(37(55)42-20-32(50)51)16-23-10-4-1-5-11-23/h1-15,21,27-30,33-35,48,52-53,58H,16-20,22,40H2,(H,41,56)(H,42,55)(H,43,49)(H,44,54)(H,50,51)/t27-,28-,29-,30+,33-,34-,35+,39+/m0/s1
InChI key： UPCSSNJMWYVRKY-CDHHVZNJSA-N
SMILES： N[C@@H](Cc1cn(nn1)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]1(S)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • 3-[1-(1-フェニル-2-デオキシ-1-チオ-α-D-ガラクトピラノース-2-イル)-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-{1-[(2R,3R,4R,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-フェニル-2-スルファニルオキサン-3-イル]-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-{1-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenyl-2-sulfanyloxan-3-yl]-1H-1,2,3-triazol-4-yl}propanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1)：
  • 3-[1-(1-Phenyl-2-deoxy-1-thio-α-D-galactopyranose-2-yl)-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH ester
Thsaurus map：
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