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Details

Stereochemistry EPIMERIC
Molecular Formula C10H15NO7S
Molecular Weight 293.294
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(2-CARBOXY-1-METHOXYCARBONYLETHYL)CYSTEINE

SMILES

COC(=O)C(CC(O)=O)SC[C@H](NC(C)=O)C(O)=O

InChI

InChIKey=FXPDGBWUDYHFEH-PKPIPKONSA-N
InChI=1S/C10H15NO7S/c1-5(12)11-6(9(15)16)4-19-7(3-8(13)14)10(17)18-2/h6-7H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO7S
Molecular Weight 293.294
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:55:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:55:38 GMT 2023
Record UNII
1W08H55Z72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(2-CARBOXY-1-METHOXYCARBONYLETHYL)CYSTEINE
Systematic Name English
BUTANEDIOIC ACID, 2-(((2R)-2-(ACETYLAMINO)-2-CARBOXYETHYL)THIO)-, 1-METHYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
73425524
Created by admin on Sat Dec 16 08:55:39 GMT 2023 , Edited by admin on Sat Dec 16 08:55:39 GMT 2023
PRIMARY
FDA UNII
1W08H55Z72
Created by admin on Sat Dec 16 08:55:39 GMT 2023 , Edited by admin on Sat Dec 16 08:55:39 GMT 2023
PRIMARY
CAS
1162749-72-5
Created by admin on Sat Dec 16 08:55:39 GMT 2023 , Edited by admin on Sat Dec 16 08:55:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of dose; Amount combined with other N-acetylcysteine conjugates
IN-VIVO
URINE