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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(4-isopropylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-cumidino-4-keto-butyrate Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-10(2)11-3-5-12(6-4-11)18-14(19)9-13(15(20)21)17-8-7-16/h3-6,10,13,17H,7-9,16H2,1-2H3,(H,18,19)(H,20,21)/p+1/t13-/m1/s1