(2R)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c23-12-4-11-20-17(19(25)26)13-18(24)22-16-9-7-15(8-10-16)21-14-5-2-1-3-6-14/h1-3,5-10,17,20-21,23H,4,11-13H2,(H,22,24)(H,25,26)/t17-/m1/s1