Chemical Compound

Xentrivalpeptide E

Xentrivalpeptide E chemical structure
Primary Record

Xentrivalpeptide E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177567671
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)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C
Canonical SMILES
CC(C)CC(=O)N[C@H](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)NC(C(C)C)C(=O)O[C@@H]1C)C(C)C

Names & Synonyms

  • Xentrivalpeptide E
  • J3.127.129K
  • Cyclo[Val-N-[N-(3-methylbutanoyl)-L-valyl]-Thr*-Phe-Pro-Val-Val-]
  • (2S)-N-[(3S,6S,9S,12R,13S,16S,21aS)-16-benzyl-12-methyl-1,4,7,10,14,17-hexaoxo-3,6,9-tris(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(3-methylbutanamido)butanamide