bis(phenylmethyl) 2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]benzene-1,4-dicarboxylate Openeye Name: dibenzyl 2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]benzene-1,4-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]benzene-1,4-dicarboxylic acid dibenzyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C31H28N2O5/c32-27(18-22-10-4-1-5-11-22)29(34)33-28-19-25(30(35)37-20-23-12-6-2-7-13-23)16-17-26(28)31(36)38-21-24-14-8-3-9-15-24/h1-17,19,27H,18,20-21,32H2,(H,33,34)/t27-/m0/s1