(phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(4-phenylphenyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(4-phenylphenyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(4-phenylbenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo-(4-phenylphenyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(4-phenylbenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(4-phenylbenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5/c33-20-26(30-27(34)25-14-12-24(13-15-25)23-10-5-2-6-11-23)28(35)31-16-7-17-32(19-18-31)29(36)37-21-22-8-3-1-4-9-22/h1-6,8-15,26,33H,7,16-21H2,(H,30,34)/t26-/m0/s1