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Substance Name: N2'-(4-((3-Carboxypropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetylmaytansine
RN: 905449-84-5
UNII: OX9S087G5M
InChIKey: ORSKCTIDJPPMJJ-CYZHRDLYSA-N

Molecular Formula

  • C42-H60-Cl-N3-O12-S2

Molecular Weight

  • 898.53
 
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Names and Synonyms

Name of Substance

  • N2'-(4-((3-Carboxypropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetylmaytansine

Synonyms

  • Maytansine, N2'-(4-((3-carboxypropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetyl-
  • N2'-(4-((3-Carboxypropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetylmaytansine
  • UNII-OX9S087G5M

Registry Numbers

CAS Registry Number

  • 905449-84-5

FDA UNII

  • OX9S087G5M

System Generated Number

  • 0905449845

Structure Descriptors

InChI

1S/C42H60ClN3O12S2/c1-24-13-11-14-31(55-10)42(53)23-30(56-39(52)44-42)25(2)37-41(6,58-37)32(22-34(48)46(8)28-20-27(19-24)21-29(54-9)36(28)43)57-38(51)26(3)45(7)33(47)16-17-40(4,5)60-59-18-12-15-35(49)50/h11,13-14,20-21,25-26,30-32,37,53H,12,15-19,22-23H2,1-10H3,(H,44,52)(H,49,50)/b14-11+,24-13+/t25-,26+,30+,31-,32+,37+,41+,42+/m1/s1

InChIKey

ORSKCTIDJPPMJJ-CYZHRDLYSA-N

Smiles

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(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)CCC(C)(C)SSCCCC(=O)O)C)\C)OC)(NC(=O)O2)O