Analyte Name

N2'-Deacetyl-N2'-(4-methyl-4-methylthio-1-oxopentyl)maytansine-d3

Molecular Formula

C39H53D3ClN3O10S

Molecular Weight

797.42

Accurate Mass

796.36

SMILES

ClC1=C(N(C)C(C[C@@H]2OC([C@H](C)N(C)C(CCC(C)(C)SC([2H])([2H])[2H])=O)=O)=O)C=C(C=C1OC)C/C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([C@H]([C@H]4[C@]2(O4)C)C)([H])OC(N3)=O

InChI

InChI=1S/C39H56ClN3O10S/c1-22-13-12-14-29(50-10)39(48)21-28(51-36(47)41-39)23(2)34-38(6,53-34)30(52-35(46)24(3)42(7)31(44)15-16-37(4,5)54-11)20-32(45)43(8)26-18-25(17-22)19-27(49-9)33(26)40/h12-14,18-19,23-24,28-30,34,48H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12+,22-13+/t23?,24?,28-,29?,30-,34-,38?,39-/m0/s1/i11D3

IUPAC

(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-((methyl-d3)thio)pentanoyl)-L-alaninate

Unlabelled CAS Number

890654-03-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat