化合物产品

Mertansine

CAS 登记号139504-50-0

CAS: 139504-50-0
PubChem CID: 9962031
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O
分子式: C35H48ClN3O10S
分子量: 738.3
精确分子量: 737.2749
InChI: InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31-,34+,35+/m1/s1
InChIKey: ANZJBCHSOXCCRQ-WPIRGBRYSA-N
LogP: 3.8344
TPSA: 156.47

名称与别名

Mertansine
CID9962031
CID 9962031
139504-50-0
N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine; DM 1; Maytansinoid DM 1; N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)maytansine