2-azanyl-3-(4-heptyl-3-oxidanylidene-1,2-oxazol-5-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-heptyl-3-oxidanylidene-1,2-oxazol-5-yl)propanoic acid Openeye Name: 2-amino-3-(4-heptyl-3-oxo-isoxazol-5-yl)propanoic acid CAS Name: 2-amino-3-(4-heptyl-3-oxo-5-isoxazolyl)propanoic acid IUPAC Name: 2-amino-3-(4-heptyl-3-oxo-1,2-oxazol-5-yl)propanoic acid Traditional Name: 2-amino-3-(4-heptyl-3-keto-4-isoxazolin-5-yl)propionic acid Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(ONC1=O)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCC1=C(ONC1=O)CC(C(=O)O)N

InChI

InChI=1S/C13H22N2O4/c1-2-3-4-5-6-7-9-11(19-15-12(9)16)8-10(14)13(17)18/h10H,2-8,14H2,1H3,(H,15,16)(H,17,18)