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Maytansinoid DM4 Impurity 6

Impurity

CAS Number

138148-68-2

Molecular Formula

C36H50ClN3O10S2

Product format

Neat

Molecular Weight

784.38

API Family

Maytansine

Synonyms

DM1-Sme; 138148-68-2; MFCD28400100; [(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate; C36H50ClN3O10S2; orb1705074; SCHEMBL29365431; AKOS040744840; MS-31429; SY034879

Iupac Name

[(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate

InChI

InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10-,20-11-/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1

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COA COO

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Synthesis

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