Chemical Compound

Xentrivalpeptide K

Xentrivalpeptide K chemical structure
Primary Record

Xentrivalpeptide K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71619936
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)N[C@H](C(=O)O1)C(C)C)C(C)C)C(C)C)CC(C)C)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](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C

Names & Synonyms

  • Xentrivalpeptide K
  • RefChem:195283
  • CHEBI:200670
  • (2S)-3-methyl-2-(3-methylbutanoylamino)-N-[(3R,6S,7R,10S,13S,16S,19S)-7-methyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10,13,16-tri(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]butanamide
  • (2S)-3-methyl-2-(3-methylbutanoylamino)-N-((3R,6S,7R,10S,13S,16S,19S)-7-methyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10,13,16-tri(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo(17.3.0)docosan-6-yl)butanamide
  • (2S)-N-((3S,6S,9S,12R,13S,16R,21AS)-1,4,7,14-tetrahydroxy-12-methyl-16-(2-methylpropyl)-10,17-dioxo-3,6,9-tris(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl)-2-((1-hydroxy-3-methylbutylidene)amino)-3-methylbutanimidate
  • (2S)-N-[(3S,6S,9S,12R,13S,16R,21AS)-1,4,7,14-tetrahydroxy-12-methyl-16-(2-methylpropyl)-10,17-dioxo-3,6,9-tris(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo[2,1-L]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutanimidate