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

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(4-isopropylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-cumidino-4-keto-butyrate Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3/c1-14(2)15-7-9-16(10-8-15)22-18(23)13-17(19(24)25)21-12-6-4-3-5-11-20/h7-10,14,17,21H,3-6,11-13,20H2,1-2H3,(H,22,23)(H,24,25)/p+1/t17-/m1/s1