(2R)-2-(3-imidazol-1-ylpropylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-imidazol-1-ylpropylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-imidazol-1-ylpropylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(1-imidazolyl)propylammonio]-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-imidazol-1-ylpropylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-imidazol-1-ylpropylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCN2C=CN=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCN2C=CN=C2

InChI

InChI=1S/C17H22N4O4/c1-25-15-6-3-2-5-13(15)20-16(22)11-14(17(23)24)19-7-4-9-21-10-8-18-12-21/h2-3,5-6,8,10,12,14,19H,4,7,9,11H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1