Chemical Compound

Aeruginopeptin 95A

Aeruginopeptin 95A chemical structure
Primary Record

Aeruginopeptin 95A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
23724559
SMILES
CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)[C@@H](C)O)O)CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)O)[C@@H](C)OC1=O

Names & Synonyms

  • Aeruginopeptin 95A
  • Aerugininopeptin 95A
  • RefChem:109890
  • SCHEMBL29884631
  • CHEBI:80072
  • C15744
  • Q27149225
  • (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]pentanediamide
  • N1-((2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((S)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)-2-(3-hydroxy-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)butanamido)pentanediamide
  • N1-((2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((S)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(3-hydroxy-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)butanamido)pentanediamide