CS1

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Summary

Name:S-(2-ANILINYL-SULFANYL)-CYSTEINE
Synonyms:3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE
Formula:C9 H12 N2 O2 S2
Formal charge:0
Molecular weight:244.334 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(2-aminophenyl)disulfanyl]-L-alanine
OpenEye OEToolkits1.5.0(2R)-2-amino-3-(2-aminophenyl)disulfanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CSSc1ccccc1N
SMILES_CANONICALCACTVS3.341N[C@@H](CSSc1ccccc1N)C(O)=O
SMILESCACTVS3.341N[CH](CSSc1ccccc1N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)N)SSCC(C(=O)O)N
InChIInChI1.03InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1
InChIKeyInChI1.03ZHCKRZMSUKPEHB-ZETCQYMHSA-N
167132
PDB entries from 2020-07-29