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

Systemtic Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(6-azaniumylhexylammonio)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (2S)-2-(6-ammoniohexylammonio)-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (2S)-2-(6-ammoniohexylammonio)-4-keto-4-(4-nitroanilino)butyrate Formula: C16H25N4O5+ MolecularWeight: 353.3935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCCCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5/c17-9-3-1-2-4-10-18-14(16(22)23)11-15(21)19-12-5-7-13(8-6-12)20(24)25/h5-8,14,18H,1-4,9-11,17H2,(H,19,21)(H,22,23)/p+1/t14-/m0/s1