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Details

Stereochemistry EPIMERIC
Molecular Formula C50H52FN7O19S
Molecular Weight 1106.047
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cysteinyl M-9140 drug-linker

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C5[C@H](CCC6=C(C)C(F)=CC(N=C34)=C56)NC(=O)OCC7=CC=C(O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)C(NC(=O)CNC(=O)CCN9C(=O)CC(SC[C@H](N)C(O)=O)C9=O)=C7)C2=O

InChI

InChIKey=YPOIVPDYBFOWKI-FAUQWZLESA-N
InChI=1S/C50H52FN7O19S/c1-3-50(73)24-11-30-38-22(15-58(30)43(65)23(24)17-74-48(50)71)37-27(6-5-21-19(2)25(51)12-29(55-38)36(21)37)56-49(72)75-16-20-4-7-31(76-47-41(64)39(62)40(63)42(77-47)46(69)70)28(10-20)54-34(60)14-53-33(59)8-9-57-35(61)13-32(44(57)66)78-18-26(52)45(67)68/h4,7,10-12,26-27,32,39-42,47,62-64,73H,3,5-6,8-9,13-18,52H2,1-2H3,(H,53,59)(H,54,60)(H,56,72)(H,67,68)(H,69,70)/t26-,27-,32?,39-,40-,41+,42-,47+,50-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Cysteinyl M-9140 drug-linker
Code English
Cysteinyl M9140 drug-linker
Preferred Name English
Code System Code Type Description
FDA UNII
493THJ7H74
Created by admin on Wed Apr 02 12:09:24 GMT 2025 , Edited by admin on Wed Apr 02 12:09:24 GMT 2025
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