Chemical Compound

Xentrivalpeptide J

Xentrivalpeptide J chemical structure
Primary Record

Xentrivalpeptide J

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71619935
SMILES
CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CC(C)C)C(C)C)C(C)C)C(C)C)C
Canonical SMILES
CCCC(=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 J
  • RefChem:195282
  • CHEBI:202039
  • (2S)-2-(butanoylamino)-3-methyl-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)-2-(butanoylamino)-3-methyl-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-hydroxybutylidene)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-hydroxybutylidene)amino]-3-methylbutanimidate