bis(phenylmethyl) 5-[(2-azanyl-3-phenyl-propanoyl)amino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[(2-azanyl-3-phenyl-propanoyl)amino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[(2-amino-3-phenyl-propanoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2-amino-1-oxo-3-phenylpropyl)amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[(2-amino-3-phenylpropanoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-(phenylalanylamino)benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C31H28N2O5/c32-28(16-22-10-4-1-5-11-22)29(34)33-27-18-25(30(35)37-20-23-12-6-2-7-13-23)17-26(19-27)31(36)38-21-24-14-8-3-9-15-24/h1-15,17-19,28H,16,20-21,32H2,(H,33,34)