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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H8Cl3NO3S
Molecular Weight 292.567
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(1,2,2-TRICHLOROVINYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSC(Cl)=C(Cl)Cl)C(O)=O

InChI

InChIKey=NBGLMNHGJFSOCH-BYPYZUCNSA-N
InChI=1S/C7H8Cl3NO3S/c1-3(12)11-4(7(13)14)2-15-6(10)5(8)9/h4H,2H2,1H3,(H,11,12)(H,13,14)/t4-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-ACETYL-S-(1,2,2-TRICHLOROVINYL)-L-CYSTEINE
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(1,2,2-TRICHLOROETHENYL)-
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(TRICHLOROETHENYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20149602
Created by admin on Sat Dec 16 08:41:06 GMT 2023 , Edited by admin on Sat Dec 16 08:41:06 GMT 2023
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FDA UNII
OKQ3S0EJ8Y
Created by admin on Sat Dec 16 08:41:06 GMT 2023 , Edited by admin on Sat Dec 16 08:41:06 GMT 2023
PRIMARY
CAS
111348-61-9
Created by admin on Sat Dec 16 08:41:06 GMT 2023 , Edited by admin on Sat Dec 16 08:41:06 GMT 2023
PRIMARY
PUBCHEM
119577
Created by admin on Sat Dec 16 08:41:06 GMT 2023 , Edited by admin on Sat Dec 16 08:41:06 GMT 2023
PRIMARY