Bis(N-ethylidenevindesine)disulfide, sulfate salt

methyl 17-ethyl-13-[12-ethyl-10-[2-[2-[[12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]ethyldisulfanyl]ethylcarbamoyl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid

Also Known As: Bis(N-ethylidenevindesine)disulfide, sulfate salt|Bis(N-ethylidenevindesine)disulfide sulfate|C90-H116-N10-O14-S2.(H2-O4-S)x-|Vincaleukoblastine, 3,3-dithiobis(ethyleneiminocarbonyl)bis(O(sup 4)-deacetyl-3-de(methoxycarbonyl)-, sulfate|Vincaleukoblastine, 3,3''-[dithiobis(2,1-ethanediyliminocarbonyl)]bis[O4-deacetyl-3-de(methoxycarbonyl)-, sulfate (1:2) (salt)

Molecular Formula	C90H120N10O22S4
Molecular Weight	1820.7461 g/mol
LogP	5.816
Topological Polar Surface Area	450.86 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	26
Rotatable Bonds	19
Exact Mass	1820.7461
Monoisotopic Mass	1820.7461
Heavy Atoms	126
Complexity	5216.4263

Chemical Identifiers

CAS Number	73609-98-0
SMILES	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCSSCCNC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C1=CC(=C(C=C1N2C)OC)C1(CC2CC(CN(C2)CCC2=C1NC1=CC=CC=C21)(CC)O)C(=O)OC)O)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O.OS(=O)(=O)O