(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-propan-2-yloxy-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-propan-2-yloxy-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-isopropoxy-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-propan-2-yloxybutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxo-4-propan-2-yloxybutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-isopropoxy-4-keto-butyrate Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)[O-])[NH2+]CC1=CC=CO1

Isomeric SMILES

CC(C)OC(=O)[C@H](CC(=O)[O-])[NH2+]CC1=CC=CO1

InChI

InChI=1S/C12H17NO5/c1-8(2)18-12(16)10(6-11(14)15)13-7-9-4-3-5-17-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,14,15)/t10-/m0/s1