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

Systemtic Name: (2R)-2-(hexylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-2-3-4-8-15-23-20(22(27)28)16-21(26)25-19-13-11-18(12-14-19)24-17-9-6-5-7-10-17/h5-7,9-14,20,23-24H,2-4,8,15-16H2,1H3,(H,25,26)(H,27,28)/t20-/m1/s1