(1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(undecanamidomethyl)oxan-2-yl]oxy}-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-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid

化合物标识与属性

PubChem CID

177505715

SMILES

CCCCCCCCCCC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H]6C7=CC(=C(C=C7)O)C8=C(C=C(C=C8O)O)C(NC(=O)[C@H]([C@@H](C9=CC(=C(O3)C=C9)Cl)O)NC6=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)O)O

Canonical SMILES

CCCCCCCCCCC(=O)NC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]4C(=O)N[C@H]2C(=O)N[C@H](C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc2ccc4O)[C@H](O)c2ccc(c(Cl)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O