4CY

nitrilo-L-methionine

Created: 2010-09-07
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count1
Bond Count17
Aromatic Bond Count0
2D diagram of 4CY

Chemical Component Summary

Namenitrilo-L-methionine
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-4-thiocyanato-butanoic acid
FormulaC5 H8 N2 O2 S
Molecular Weight160.194
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N#CSCCC(C(=O)O)N
SMILESCACTVS3.370N[CH](CCSC#N)C(O)=O
SMILESOpenEye OEToolkits1.7.0C(CSC#N)C(C(=O)O)N
Canonical SMILESCACTVS3.370 N[C@@H](CCSC#N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C(CSC#N)[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
InChIKeyInChI1.03 JTTFTTBDRWNNMW-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 49866509