Chemical Compound

Xentrivalpeptide Q

Xentrivalpeptide Q chemical structure
Primary Record

Xentrivalpeptide Q

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71620129
SMILES
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C(C)C)CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CC4=CC=CC=C4
Canonical SMILES
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C

Names & Synonyms

  • Xentrivalpeptide Q
  • RefChem:195289
  • CHEBI:217574
  • (2S)-N-[(3R,6S,7R,10S,13S,16S)-3-benzyl-7-methyl-2,5,9,12,15-pentaoxo-10,13-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
  • (2S)-N-((3R,6S,7R,10S,13S,16S)-3-benzyl-7-methyl-2,5,9,12,15-pentaoxo-10,13-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo(14.3.0)nonadecan-6-yl)-3-methyl-2-((2-phenylacetyl)amino)butanamide
  • (2S)-N-((3S,6S,9R,10S,13R,18AS)-13-benzyl-1,4,11-trihydroxy-9-methyl-7,14-dioxo-3,6-bis(propan-2-yl)-3H,6H,7H,9H,10H,13H,14H,16H,17H,18H,18ah-pyrrolo(2,1-i)1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl)-2-((1-hydroxy-2-phenylethylidene)amino)-3-methylbutanimidate
  • (2S)-N-[(3S,6S,9R,10S,13R,18AS)-13-benzyl-1,4,11-trihydroxy-9-methyl-7,14-dioxo-3,6-bis(propan-2-yl)-3H,6H,7H,9H,10H,13H,14H,16H,17H,18H,18ah-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidate