(2R)-4-oxidanylidene-2-(pentylazaniumyl)-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(pentylazaniumyl)-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(4-anilinoanilino)-4-keto-butyrate Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H27N3O3/c1-2-3-7-14-22-19(21(26)27)15-20(25)24-18-12-10-17(11-13-18)23-16-8-5-4-6-9-16/h4-6,8-13,19,22-23H,2-3,7,14-15H2,1H3,(H,24,25)(H,26,27)/t19-/m1/s1