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

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(4-butylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(4-butylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-butylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(4-butylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-butylanilino)-4-keto-butyrate Formula: C20H34N3O3+ MolecularWeight: 364.50226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3/c1-2-3-8-16-9-11-17(12-10-16)23-19(24)15-18(20(25)26)22-14-7-5-4-6-13-21/h9-12,18,22H,2-8,13-15,21H2,1H3,(H,23,24)(H,25,26)/p+1/t18-/m1/s1