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Details

Stereochemistry EPIMERIC
Molecular Formula C8H13NO6S
Molecular Weight 251.257
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)BUTANEDIOIC ACID 2-METHYL ESTER

SMILES

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

InChI

InChIKey=MIUFXQAREUEISL-ROLXFIACSA-N
InChI=1S/C8H13NO6S/c1-15-6(10)2-5(8(13)14)16-3-4(9)7(11)12/h4-5H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4-,5?/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO6S
Molecular Weight 251.257
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 08:20:18 GMT 2023
Edited
by admin
on Sat Dec 16 08:20:18 GMT 2023
Record UNII
8KK1UTR6IF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)BUTANEDIOIC ACID 2-METHYL ESTER
Common Name English
(1-CARBOXY-2-METHOXYCARBONYLETHYL)CYSTEINE
Systematic Name English
2-((2-AMINO-2-CARBOXYETHYL)THIO)-4-METHOXY-4-OXOBUTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
8KK1UTR6IF
Created by admin on Sat Dec 16 08:20:18 GMT 2023 , Edited by admin on Sat Dec 16 08:20:18 GMT 2023
PRIMARY
PUBCHEM
129851997
Created by admin on Sat Dec 16 08:20:18 GMT 2023 , Edited by admin on Sat Dec 16 08:20:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of dose; Amount combined with other cysteine conjugates
IN-VIVO
URINE