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

Details

Stereochemistry RACEMIC
Molecular Formula C7H15N3O2S2
Molecular Weight 237.343
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYLTHIO)PROPIONIC ACID

SMILES

NC(=N)NCCSCC(CS)C(O)=O

InChI

InChIKey=AKPKWZRKZOAAAZ-UHFFFAOYSA-N
InChI=1S/C7H15N3O2S2/c8-7(9)10-1-2-14-4-5(3-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)

HIDE SMILES / InChI

Molecular Formula C7H15N3O2S2
Molecular Weight 237.343
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:51 GMT 2023
Record UNII
X8EOD1X17Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYLTHIO)PROPIONIC ACID
Systematic Name English
2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYLTHIO)PROPIONIC ACID, (±)-
Systematic Name English
2-MERCAPTOMETHYL-3-GUANIDINOETHYLTHIOPROPIONIC ACID
Systematic Name English
PROPANOIC ACID, 3-((2-((AMINOIMINOMETHYL)AMINO)ETHYL)THIO)-2-(MERCAPTOMETHYL)-
Systematic Name English
MERGETPA
Brand Name English
DL-2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYL)THIOPROPANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
123726
Created by admin on Sat Dec 16 08:33:51 GMT 2023 , Edited by admin on Sat Dec 16 08:33:51 GMT 2023
PRIMARY
CAS
77102-28-4
Created by admin on Sat Dec 16 08:33:51 GMT 2023 , Edited by admin on Sat Dec 16 08:33:51 GMT 2023
PRIMARY
FDA UNII
X8EOD1X17Q
Created by admin on Sat Dec 16 08:33:51 GMT 2023 , Edited by admin on Sat Dec 16 08:33:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID10998363
Created by admin on Sat Dec 16 08:33:51 GMT 2023 , Edited by admin on Sat Dec 16 08:33:51 GMT 2023
PRIMARY