(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-ethoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-ethoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-ethoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(p-phenetidino)butyrate Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C15H23N3O4/c1-2-22-12-6-4-11(5-7-12)18-14(19)10-13(15(20)21)17-9-3-8-16/h4-7,13,17H,2-3,8-10,16H2,1H3,(H,18,19)(H,20,21)/p+1/t13-/m1/s1