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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H60ClN3O12S2
Molecular Weight 898.522
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYLMAYTANSINE

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)SSCCCC(O)=O

InChI

InChIKey=ORSKCTIDJPPMJJ-CYZHRDLYSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYLMAYTANSINE
Common Name English
MAYTANSINE, N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYL-
Systematic Name English
Code System Code Type Description
FDA UNII
OX9S087G5M
Created by admin on Fri Dec 15 16:10:46 GMT 2023 , Edited by admin on Fri Dec 15 16:10:46 GMT 2023
PRIMARY
PUBCHEM
11622082
Created by admin on Fri Dec 15 16:10:46 GMT 2023 , Edited by admin on Fri Dec 15 16:10:46 GMT 2023
PRIMARY
CAS
905449-84-5
Created by admin on Fri Dec 15 16:10:46 GMT 2023 , Edited by admin on Fri Dec 15 16:10:46 GMT 2023
PRIMARY