CS4

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Summary

Name:S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE
Synonyms:(R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID
Formula:C12 H13 Cl2 N O3 S
Formal charge:0
Molecular weight:322.208 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine
OpenEye OEToolkits1.5.0(2R)-2-amino-3-[3-(3,4-dichlorophenyl)-3-oxo-propyl]sulfanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl
SMILES_CANONICALCACTVS3.341N[C@@H](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
SMILESCACTVS3.341N[CH](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1C(=O)CCSCC(C(=O)O)N)Cl)Cl
InChIInChI1.03InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1
InChIKeyInChI1.03WBRMJWLALJKZJY-JTQLQIEISA-N
168889
PDB entries from 2020-09-16