C6C

S-CYCLOHEXYL THIOCYSTEINE

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

Find related ligands:

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count31
Aromatic Bond Count0
2D diagram of C6C

Chemical Component Summary

NameS-CYCLOHEXYL THIOCYSTEINE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-3-cyclohexyldisulfanyl-propanoic acid
FormulaC9 H17 N O2 S2
Molecular Weight235.367
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CSSC1CCCCC1
SMILESCACTVS3.341N[CH](CSSC1CCCCC1)C(O)=O
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)SSCC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CSSC1CCCCC1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1CCC(CC1)SSC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C9H17NO2S2/c10-8(9(11)12)6-13-14-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyInChI1.03 DYOSZCUUPLADPV-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 49866755