Maytansine, N2′-deacetyl-N2′-[4-(methyldithio)-1-oxopentyl]-

CAS Registry Number®

796073-70-6
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CAS Name

Maytansine, N2′-deacetyl-N2′-[4-(methyldithio)-1-oxopentyl]-

Molecular Formula

C38H54ClN3O10S2

Molecular Mass

812.43

Cite this Page

Maytansine, N2′-deacetyl-N2′-[4-(methyldithio)-1-oxopentyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=796073-70-6 (retrieved 2024-08-02) (CAS RN: 796073-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H54ClN3O10S2/c1-21-12-11-13-29(49-9)38(47)20-28(50-36(46)40-38)23(3)34-37(5,52-34)30(51-35(45)24(4)41(6)31(43)15-14-22(2)54-53-10)19-32(44)42(7)26-17-25(16-21)18-27(48-8)33(26)39/h11-13,17-18,22-24,28-30,34,47H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22?,23-,24+,28+,29-,30+,34+,37+,38+/m1/s1

InChIKey

InChIKey=YCOIJPSIDUQDNN-UQJMXLCASA-N

SMILES

C[C@]12[C@@](O1)([C@H](C)[C@@]3(C[C@](O)([C@H](OC)/C=C/C=C(\C)/CC4=CC(N(C)C(=O)C[C@@H]2OC([C@@H](N(C(CCC(SSC)C)=O)C)C)=O)=C(Cl)C(OC)=C4)NC(=O)O3)[H])[H]

Canonical SMILES

O=C1OC2CC(O)(N1)C(OC)C=CC=C(C)CC3=CC(OC)=C(Cl)C(=C3)N(C(=O)CC(OC(=O)C(N(C(=O)CCC(SSC)C)C)C)C4(OC4C2C)C)C

Other Names for this Substance

  • Maytansine, N2′-deacetyl-N2′-[4-(methyldithio)-1-oxopentyl]-