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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13NO5S
Molecular Weight 235.258
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(2-CARBOXYETHYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSCCC(O)=O)C(O)=O

InChI

InChIKey=CLQPFBSYILTXKI-LURJTMIESA-N
InChI=1S/C8H13NO5S/c1-5(10)9-6(8(13)14)4-15-3-2-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO5S
Molecular Weight 235.258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine.
2009-06
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:51:42 GMT 2025
Edited
by admin
on Mon Mar 31 18:51:42 GMT 2025
Record UNII
RFS74C5561
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(N-ACETYL-L-CYSTEIN-S-YL)PROPANOIC ACID
Preferred Name English
N-ACETYL-S-(2-CARBOXYETHYL)-L-CYSTEINE
Systematic Name English
ALANINE, N-ACETYL-3-(2-CARBOXYETHYLTHIO)-
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(2-CARBOXYETHYL)-
Systematic Name English
N-ACETYL-S-(2-CARBOXYETHYL)CYSTEINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60966198
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
PUBCHEM
108073
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
CAS
51868-61-2
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
MESH
C073258
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
FDA UNII
RFS74C5561
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY