EFC

S,S-(2-FLUOROETHYL)THIOCYSTEINE

Created:1999-07-08
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of EFC

Chemical Component Summary

NameS,S-(2-FLUOROETHYL)THIOCYSTEINE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-3-(2-fluoroethyldisulfanyl)propanoic acid
FormulaC5 H10 F N O2 S2
Molecular Weight199.267
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FCCSSCC(C(=O)O)N
SMILESCACTVS3.341N[CH](CSSCCF)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(CSSCC(C(=O)O)N)F
Canonical SMILESCACTVS3.341 N[C@@H](CSSCCF)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(CSSC[C@@H](C(=O)O)N)F
InChIInChI1.03 InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
InChIKeyInChI1.03 KQUQTCUPTPNNHF-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 49866941