U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C37H52ClN3O10S
Molecular Weight 766.341
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAYTANSINOID DM3

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(OC)=C(Cl)C(=C2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)S)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4

InChI

InChIKey=LJFFDOBFKICLHN-IXWHRVGISA-N
InChI=1S/C37H52ClN3O10S/c1-20-11-10-12-28(48-9)37(46)19-27(49-35(45)39-37)22(3)33-36(5,51-33)29(50-34(44)23(4)40(6)30(42)14-13-21(2)52)18-31(43)41(7)25-16-24(15-20)17-26(47-8)32(25)38/h10-12,16-17,21-23,27-29,33,46,52H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21?,22-,23+,27+,28-,29+,33+,36+,37+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MAYTANSINOID DM3
Common Name English
MAYTANSINE, N2'-DEACETYL-N2'-(4-MERCAPTO-1-OXOPENTYL)-
Preferred Name English
MAYTANSINOID DM 3
Common Name English
N(2')-DEACETYL-N2-(4-MERCAPTO-4-METHYL-1-OXOPENTYL)-MAYTANSINE
Common Name English
Code System Code Type Description
CAS
796073-54-6
Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025
PRIMARY
FDA UNII
XNG6QZ89ZB
Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025
PRIMARY
PUBCHEM
11578612
Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025
PRIMARY