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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9ClN2O4S
Molecular Weight 276.697
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(2-CHLORO-4-NITROPHENYL)-L-CYSTEINE

SMILES

N[C@@H](CSC1=CC=C(C=C1Cl)[N+]([O-])=O)C(O)=O

InChI

InChIKey=GNDJEAYREUGQKS-ZETCQYMHSA-N
InChI=1S/C9H9ClN2O4S/c10-6-3-5(12(15)16)1-2-8(6)17-4-7(11)9(13)14/h1-3,7H,4,11H2,(H,13,14)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H9ClN2O4S
Molecular Weight 276.697
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:45:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:45:57 GMT 2023
Record UNII
RXF6UBP46D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(2-CHLORO-4-NITROPHENYL)-L-CYSTEINE
Systematic Name English
ALANINE, 3-((2-CHLORO-4-NITROPHENYL)THIO)-, L-
Systematic Name English
NSC-144742
Code English
ALANINE, 3-(2-CHLORO-4-NITROPHENYLTHIO)-
Systematic Name English
CYSTEINE, S-(2-CHLORO-4-NITROPHENYL)-
Systematic Name English
L-CYSTEINE, S-(2-CHLORO-4-NITROPHENYL)-
Systematic Name English
Code System Code Type Description
NSC
144742
Created by admin on Sat Dec 16 11:45:57 GMT 2023 , Edited by admin on Sat Dec 16 11:45:57 GMT 2023
PRIMARY
FDA UNII
RXF6UBP46D
Created by admin on Sat Dec 16 11:45:57 GMT 2023 , Edited by admin on Sat Dec 16 11:45:57 GMT 2023
PRIMARY
PUBCHEM
57320586
Created by admin on Sat Dec 16 11:45:57 GMT 2023 , Edited by admin on Sat Dec 16 11:45:57 GMT 2023
PRIMARY
CAS
305-39-5
Created by admin on Sat Dec 16 11:45:57 GMT 2023 , Edited by admin on Sat Dec 16 11:45:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00301605
Created by admin on Sat Dec 16 11:45:57 GMT 2023 , Edited by admin on Sat Dec 16 11:45:57 GMT 2023
PRIMARY