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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=C(C(=O)NO1)CC(C(=O)O)N

Isomeric SMILES

CCCC(CCC)C1=C(C(=O)NO1)CC(C(=O)O)N

InChI

InChI=1S/C13H22N2O4/c1-3-5-8(6-4-2)11-9(12(16)15-19-11)7-10(14)13(17)18/h8,10H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)