(phenylmethyl) 4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: (phenylmethyl) 4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]benzoate Openeye Name: benzyl 4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]benzoic acid benzyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c24-21(15-17-7-3-1-4-8-17)22(26)25-20-13-11-19(12-14-20)23(27)28-16-18-9-5-2-6-10-18/h1-14,21H,15-16,24H2,(H,25,26)/t21-/m0/s1