(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: (3S)-4-benzyloxy-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-phenylmethoxybutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxo-4-phenylmethoxybutanoate Traditional Name: (3S)-4-benzoxy-3-(2-furfurylammonio)-4-keto-butyrate Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C16H17NO5/c18-15(19)9-14(17-10-13-7-4-8-21-13)16(20)22-11-12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H,18,19)/t14-/m0/s1