(2R)-4-[(3-hydroxyphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-hydroxyphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-hydroxyanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-hydroxyanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-hydroxyanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-hydroxyanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]C(CC(=O)NC1=CC(=CC=C1)O)C(=O)[O-]

Isomeric SMILES

COCCC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)O)C(=O)[O-]

InChI

InChI=1S/C14H20N2O5/c1-21-7-3-6-15-12(14(19)20)9-13(18)16-10-4-2-5-11(17)8-10/h2,4-5,8,12,15,17H,3,6-7,9H2,1H3,(H,16,18)(H,19,20)/t12-/m1/s1