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

Systemtic Name: 2-azanyl-3-(3-oxidanylidene-4-propan-2-yl-1,2-oxazol-5-yl)propanoic acid Openeye Name: 2-amino-3-(4-isopropyl-3-oxo-isoxazol-5-yl)propanoic acid CAS Name: 2-amino-3-(3-oxo-4-propan-2-yl-5-isoxazolyl)propanoic acid IUPAC Name: 2-amino-3-(3-oxo-4-propan-2-yl-1,2-oxazol-5-yl)propanoic acid Traditional Name: 2-amino-3-(4-isopropyl-3-keto-4-isoxazolin-5-yl)propionic acid Formula: C9H14N2O4 MolecularWeight: 214.21846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(ONC1=O)CC(C(=O)O)N

Isomeric SMILES

CC(C)C1=C(ONC1=O)CC(C(=O)O)N

InChI

InChI=1S/C9H14N2O4/c1-4(2)7-6(15-11-8(7)12)3-5(10)9(13)14/h4-5H,3,10H2,1-2H3,(H,11,12)(H,13,14)