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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(1-phenylcyclopentyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopentanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo-(1-phenylcyclopentyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopentanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(1-phenylcyclopentanecarbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(CO)C(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5/c32-20-24(29-26(34)28(14-7-8-15-28)23-12-5-2-6-13-23)25(33)30-16-9-17-31(19-18-30)27(35)36-21-22-10-3-1-4-11-22/h1-6,10-13,24,32H,7-9,14-21H2,(H,29,34)/t24-/m0/s1