methyl (1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(benzoyloxy)oxan-2-yl]oxy}-2,18-bis[(tert-butyldimethylsilyl)oxy]-22-(carbamoylmethyl)-47,49-dichloro-32,35,37-trihydroxy-19-[(2R)-4-methyl-2-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}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

化合物标识与属性

PubChem CID

177411411

SMILES

CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN=[N+]=[N-])OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC9=C(C=C(C=C9)[C@H]([C@H]2C(=O)NC(C3=C(C(=CC(=C3)O)O)C3=C(C=CC(=C3)[C@H](C(=O)N2)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)OC)O[Si](C)(C)C(C)(C)C)Cl)Cl)O[Si](C)(C)C(C)(C)C)N(C)C(=O)OCC=C

Canonical SMILES

C=CCOC(=O)N(C)[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)NC(C(=O)OC)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)Oc2ccc(cc2Cl)[C@H]1O[Si](C)(C)C(C)(C)C