U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H38N4O12S2
Molecular Weight 590.665
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLENEDICYSTEINE DEOXYGLUCOSE

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C=O

InChI

InChIKey=HQASPCIGXITHBD-QQUALSNWSA-N
InChI=1S/C20H38N4O12S2/c25-3-9(15(31)17(33)13(29)5-27)23-19(35)11(7-37)21-1-2-22-12(8-38)20(36)24-10(4-26)16(32)18(34)14(30)6-28/h3-4,9-18,21-22,27-34,37-38H,1-2,5-8H2,(H,23,35)(H,24,36)/t9-,10-,11-,12-,13+,14+,15+,16+,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H38N4O12S2
Molecular Weight 590.665
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:22:26 GMT 2025
Edited
by admin
on Mon Mar 31 18:22:26 GMT 2025
Record UNII
CM5MPC5ER0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYLENEDICYSTEINE DEOXYGLUCOSE
Preferred Name English
Code System Code Type Description
PUBCHEM
137331871
Created by admin on Mon Mar 31 18:22:26 GMT 2025 , Edited by admin on Mon Mar 31 18:22:26 GMT 2025
PRIMARY
FDA UNII
CM5MPC5ER0
Created by admin on Mon Mar 31 18:22:26 GMT 2025 , Edited by admin on Mon Mar 31 18:22:26 GMT 2025
PRIMARY
CAS
757246-07-4
Created by admin on Mon Mar 31 18:22:26 GMT 2025 , Edited by admin on Mon Mar 31 18:22:26 GMT 2025
ALTERNATIVE
CAS
378230-75-2
Created by admin on Mon Mar 31 18:22:26 GMT 2025 , Edited by admin on Mon Mar 31 18:22:26 GMT 2025
PRIMARY