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

Details

Stereochemistry EPIMERIC
Molecular Formula C12H22N2O4S2
Molecular Weight 322.444
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-(((2RS)-2-(ACETYLAMINO)-4-(METHYLSULFANYL)BUTANOYL)AMINO)-4-(METHYLSULFANYL)BUTANOIC ACID

SMILES

CSCC[C@H](NC(=O)C(CCSC)NC(C)=O)C(O)=O

InChI

InChIKey=VIVKXFPMQBCQAC-AXDSSHIGSA-N
InChI=1S/C12H22N2O4S2/c1-8(15)13-9(4-6-19-2)11(16)14-10(12(17)18)5-7-20-3/h9-10H,4-7H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)/t9?,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H22N2O4S2
Molecular Weight 322.444
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 15:10:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:10:11 GMT 2023
Record UNII
51XHX4G94E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-(((2RS)-2-(ACETYLAMINO)-4-(METHYLSULFANYL)BUTANOYL)AMINO)-4-(METHYLSULFANYL)BUTANOIC ACID
Systematic Name English
METHIONINE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
51XHX4G94E
Created by admin on Sat Dec 16 15:10:11 GMT 2023 , Edited by admin on Sat Dec 16 15:10:11 GMT 2023
PRIMARY
PUBCHEM
161310625
Created by admin on Sat Dec 16 15:10:11 GMT 2023 , Edited by admin on Sat Dec 16 15:10:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP