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

Systemtic Name: 2-azanyl-3-(5-butyl-3-oxidanylidene-1,2-oxazol-4-yl)propanoic acid Openeye Name: 2-amino-3-(5-butyl-3-oxo-isoxazol-4-yl)propanoic acid CAS Name: 2-amino-3-(5-butyl-3-oxo-4-isoxazolyl)propanoic acid IUPAC Name: 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid Traditional Name: 2-amino-3-(5-butyl-3-keto-4-isoxazolin-4-yl)propionic acid Formula: C10H16N2O4 MolecularWeight: 228.24504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)NO1)CC(C(=O)O)N

Isomeric SMILES

CCCCC1=C(C(=O)NO1)CC(C(=O)O)N

InChI

InChI=1S/C10H16N2O4/c1-2-3-4-8-6(9(13)12-16-8)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)