FL6

(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

Created: 2020-06-02
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count18
Aromatic Bond Count0
2D diagram of FL6

Chemical Component Summary

Name(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
FormulaC5 H9 N O4
Molecular Weight147.129
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COC(=O)C[CH](N)C(O)=O
SMILESOpenEye OEToolkits2.0.7COC(=O)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 COC(=O)C[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1
InChIKeyInChI1.03 SBRYFUVVWOMLLP-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 6994658, 97368