(2S)-2-(6-azaniumylhexylazaniumyl)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(6-azaniumylhexylammonio)-4-(4-methoxyanilino)-4-oxo-butanoate CAS Name: (2S)-2-(6-ammoniohexylammonio)-4-(4-methoxyanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-(4-methoxyanilino)-4-oxobutanoate Traditional Name: (2S)-2-(6-ammoniohexylammonio)-4-keto-4-(p-anisidino)butyrate Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C17H27N3O4/c1-24-14-8-6-13(7-9-14)20-16(21)12-15(17(22)23)19-11-5-3-2-4-10-18/h6-9,15,19H,2-5,10-12,18H2,1H3,(H,20,21)(H,22,23)/p+1/t15-/m0/s1