(3R)-4-[(4-bromophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (3R)-4-[(4-bromophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (3R)-3-(benzylammonio)-4-(4-bromoanilino)-4-oxo-butanoate CAS Name: (3R)-4-(4-bromoanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: (3R)-3-(benzylazaniumyl)-4-(4-bromoanilino)-4-oxobutanoate Traditional Name: (3R)-3-(benzylammonio)-4-(4-bromoanilino)-4-keto-butyrate Formula: C17H17BrN2O3 MolecularWeight: 377.23248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3/c18-13-6-8-14(9-7-13)20-17(23)15(10-16(21)22)19-11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,20,23)(H,21,22)/t15-/m1/s1