(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(2-ethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(2-ethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(2-ethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(2-ethylanilino)-4-keto-butyrate Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C18H29N3O3/c1-2-14-9-5-6-10-15(14)21-17(22)13-16(18(23)24)20-12-8-4-3-7-11-19/h5-6,9-10,16,20H,2-4,7-8,11-13,19H2,1H3,(H,21,22)(H,23,24)/p+1/t16-/m1/s1