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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H54ClN3O10S
Molecular Weight 780.367
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DM4

SMILES

[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)C3=C(Cl)C(OC)=CC(C\C(C)=C\C=C\[C@@H](OC)[C@@]4(O)C[C@]([H])(OC(=O)N4)[C@H]2C)=C3)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S

InChI

InChIKey=JFCFGYGEYRIEBE-YVLHJLIDSA-N
InChI=1S/C38H54ClN3O10S/c1-21-12-11-13-28(49-10)38(47)20-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)30(43)14-15-36(4,5)53)19-31(44)42(8)25-17-24(16-21)18-26(48-9)32(25)39/h11-13,17-18,22-23,27-29,33,47,53H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22-,23+,27+,28-,29+,33+,37+,38+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DM4
Common Name English
MAYTANSINOID DM4
Common Name English
MAYTANSINOID DM 4
Common Name English
MAYTANSINE, N2'-DEACETYL-N2'-(4-MERCAPTO-4-METHYL-1-OXOPENTYL)
Common Name English
Code System Code Type Description
PUBCHEM
11686439
Created by admin on Fri Dec 15 15:50:08 GMT 2023 , Edited by admin on Fri Dec 15 15:50:08 GMT 2023
PRIMARY
FDA UNII
WOB38VS2NI
Created by admin on Fri Dec 15 15:50:08 GMT 2023 , Edited by admin on Fri Dec 15 15:50:08 GMT 2023
PRIMARY
NCI_THESAURUS
C136538
Created by admin on Fri Dec 15 15:50:08 GMT 2023 , Edited by admin on Fri Dec 15 15:50:08 GMT 2023
PRIMARY
CAS
796073-69-3
Created by admin on Fri Dec 15 15:50:08 GMT 2023 , Edited by admin on Fri Dec 15 15:50:08 GMT 2023
PRIMARY