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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H44N6O11S
Molecular Weight 804.865
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cysteinyl adizutecan

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C(C5=CC6=C(OCO6)C=C5N=C34)C78CC(C7)(C8)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CSC[C@H](N)C(O)=O)C(C)C)C2=O

InChI

InChIKey=CGSUBIOGTVNFRW-UGQCHIQQSA-N
InChI=1S/C39H44N6O11S/c1-5-39(53)22-7-25-31-20(9-45(25)34(49)21(22)10-54-36(39)52)29(19-6-26-27(56-16-55-26)8-24(19)42-31)37-13-38(14-37,15-37)44-32(47)18(4)41-33(48)30(17(2)3)43-28(46)12-57-11-23(40)35(50)51/h6-8,17-18,23,30,53H,5,9-16,40H2,1-4H3,(H,41,48)(H,43,46)(H,44,47)(H,50,51)/t18-,23-,30-,37?,38?,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H44N6O11S
Molecular Weight 804.865
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:23:20 GMT 2025
Edited
by admin
on Wed Apr 02 11:23:20 GMT 2025
Record UNII
XAR8W5T5NS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cysteinyl adizutecan
Preferred Name English
Code System Code Type Description
PUBCHEM
171390003
Created by admin on Wed Apr 02 11:23:20 GMT 2025 , Edited by admin on Wed Apr 02 11:23:20 GMT 2025
PRIMARY
FDA UNII
XAR8W5T5NS
Created by admin on Wed Apr 02 11:23:20 GMT 2025 , Edited by admin on Wed Apr 02 11:23:20 GMT 2025
PRIMARY