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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H72ClN5O13S2
Molecular Weight 1026.694
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DM4-SPDB-L-LYSINE

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)NCCCC[C@H](N)C(O)=O

InChI

InChIKey=VUAUZOXSQKWNNO-NBSRGMMNSA-N
InChI=1S/C48H72ClN5O13S2/c1-28-15-13-17-36(64-10)48(62)27-35(65-45(61)52-48)29(2)42-47(6,67-42)37(26-40(57)54(8)33-24-31(23-28)25-34(63-9)41(33)49)66-44(60)30(3)53(7)39(56)19-20-46(4,5)69-68-22-14-18-38(55)51-21-12-11-16-32(50)43(58)59/h13,15,17,24-25,29-30,32,35-37,42,62H,11-12,14,16,18-23,26-27,50H2,1-10H3,(H,51,55)(H,52,61)(H,58,59)/b17-13+,28-15+/t29-,30+,32+,35+,36-,37+,42+,47+,48+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DM4-SPDB-L-LYSINE
Common Name English
MAYTANSINE, N2'-(4-((4-(((5S)-5-AMINO-5-CARBOXYPENTYL)AMINO)-4-OXOBUTYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYL-
Systematic Name English
Code System Code Type Description
CAS
1280215-91-9
Created by admin on Sat Dec 16 00:38:01 GMT 2023 , Edited by admin on Sat Dec 16 00:38:01 GMT 2023
PRIMARY
PUBCHEM
131801096
Created by admin on Sat Dec 16 00:38:01 GMT 2023 , Edited by admin on Sat Dec 16 00:38:01 GMT 2023
PRIMARY
FDA UNII
6MDF4WB915
Created by admin on Sat Dec 16 00:38:01 GMT 2023 , Edited by admin on Sat Dec 16 00:38:01 GMT 2023
PRIMARY