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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9Cl2NO3S
Molecular Weight 258.122
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=LPPJGTSPIBSYQO-KDXUVAGDSA-N
InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h2,5H,3H2,1H3,(H,10,11)(H,12,13)/b6-2+/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H9Cl2NO3S
Molecular Weight 258.122
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:35:06 GMT 2023
Edited
by admin
on Sat Dec 16 14:35:06 GMT 2023
Record UNII
D2JSZ28HP5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(1,2-DICHLOROVINYL)-L-CYSTEINE, (Z)-
Systematic Name English
S-1,2-DICHLOROVINYL-N-ACETYLCYSTEINE
Common Name English
(2R)-2-ACETAMIDO-3-((Z)-1,2-DICHLOROETHENYL)SULFANYLPROPANOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
6437866
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
SMS_ID
100000146298
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
EVMPD
SUB125190
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
CAS
126924-18-3
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
CAS
2148-31-4
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
D2JSZ28HP5
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID701030744
Created by admin on Sat Dec 16 14:35:06 GMT 2023 , Edited by admin on Sat Dec 16 14:35:06 GMT 2023
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER