CY1

ACETAMIDOMETHYLCYSTEINE

Created:1999-10-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count1
Bond Count23
Aromatic Bond Count0
2D diagram of CY1

Chemical Component Summary

NameACETAMIDOMETHYLCYSTEINE
Systematic Name (OpenEye OEToolkits)(2R)-3-(acetamidomethylsulfanyl)-2-amino-propanoic acid
FormulaC6 H12 N2 O3 S
Molecular Weight192.236
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCSCC(C(=O)O)N)C
SMILESCACTVS3.341CC(=O)NCSC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=O)NCSCC(C(=O)O)N
Canonical SMILESCACTVS3.341 CC(=O)NCSC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)NCSC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKeyInChI1.03 QFQYGJMNIDGZSG-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 1590099, 1590100