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

Systemtic Name: (2R)-2-(2-methylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-14(2)13-21-18(20(25)26)12-19(24)23-17-10-8-16(9-11-17)22-15-6-4-3-5-7-15/h3-11,14,18,21-22H,12-13H2,1-2H3,(H,23,24)(H,25,26)/t18-/m1/s1