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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 1-METHYL ESTER

SMILES

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

InChI

InChIKey=GAJCKOQDWSPEBZ-ROLXFIACSA-N
InChI=1S/C8H13NO6S/c1-15-8(14)5(2-6(10)11)16-3-4(9)7(12)13/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)/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 08:07:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:07:31 GMT 2023
Record UNII
9OXV3T5998
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)BUTANEDIOIC ACID 1-METHYL ESTER
Systematic Name English
BUTANEDIOIC ACID, 2-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)-, 1-METHYL ESTER
Common Name English
S-(2-CARBOXY-1-METHOXYCARBONYLETHYL)CYSTEINE
Systematic Name English
Code System Code Type Description
PUBCHEM
73425514
Created by admin on Sat Dec 16 08:07:31 GMT 2023 , Edited by admin on Sat Dec 16 08:07:31 GMT 2023
PRIMARY
CAS
914933-55-4
Created by admin on Sat Dec 16 08:07:31 GMT 2023 , Edited by admin on Sat Dec 16 08:07:31 GMT 2023
PRIMARY
FDA UNII
9OXV3T5998
Created by admin on Sat Dec 16 08:07:31 GMT 2023 , Edited by admin on Sat Dec 16 08:07:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of dose; Amount combined with other cysteine conjugates
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