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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(1-phenylcyclopropyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo-(1-phenylcyclopropyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5/c30-18-22(27-24(32)26(12-13-26)21-10-5-2-6-11-21)23(31)28-14-7-15-29(17-16-28)25(33)34-19-20-8-3-1-4-9-20/h1-6,8-11,22,30H,7,12-19H2,(H,27,32)/t22-/m0/s1