4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c23-18(24)12-16(21-13-15-9-5-2-6-10-15)19(25)22-17(20(26)27)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,22,25)(H,23,24)(H,26,27)