Chemical Compound

CHEMBL437445

CHEMBL437445 chemical structure
Primary Record

CHEMBL437445

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
44275571
SMILES
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)OC)O)Cl)Cl)O)NC
Canonical SMILES
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)[C@H]1O

Names & Synonyms

  • CHEMBL437445
  • J1.731.396G
  • 26-(Methoxycarbonyl)-26-descarboxy-44-O-des[2-O-(3-C-methyl-3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 44-O-Des[2-O-(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin methyl ester
  • methyl (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate