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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-butylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-butylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-butylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-butylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-butylanilino)-4-keto-butyrate Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C17H27N3O3/c1-2-3-5-13-6-8-14(9-7-13)20-16(21)12-15(17(22)23)19-11-4-10-18/h6-9,15,19H,2-5,10-12,18H2,1H3,(H,20,21)(H,22,23)/p+1/t15-/m1/s1