2'-O-De(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-22-O-[3-(4'-chlorostilbene-4-ylmethylamino)-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl]-29-[2-(trimethylaminio)ethylaminomethyl]vancomycin

化合物标识与属性

PubChem CID

101344568

SMILES

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=N[C@@H](C4=CC(=C(C(=C4C5=C(C=CC(=C5)[C@H](C(=N3)O)N=C([C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H](C(=N[C@H](C(=N6)O)CC(=N)O)O)N=C([C@@H](CC(C)C)NC)O)O)Cl)O)O)O)CNCC[N+](C)(C)C)O)C(=O)O)O)(C)NCC1=CC=C(C=C1)/C=C/C1=CC=C(C=C1)Cl)O

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)O)c4cc(O)c(CNCC[N+](C)(C)C)c(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(NCc4ccc(/C=C/c5ccc(Cl)cc5)cc4)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O