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

Systemtic Name: (2R)-4-[(4-ethoxycarbonylphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-carbethoxyanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCOC

InChI

InChI=1S/C17H24N2O6/c1-3-25-17(23)12-5-7-13(8-6-12)19-15(20)11-14(16(21)22)18-9-4-10-24-2/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)/t14-/m1/s1