tert-butyl 4-[3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-acetoxyphenyl)-2-(benzyloxycarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(4-acetyloxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(4-acetoxyphenyl)-2-(benzyloxycarbonylamino)propanoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C29H37N3O7 MolecularWeight: 539.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O7/c1-21(33)38-24-13-11-22(12-14-24)19-25(30-27(35)37-20-23-9-6-5-7-10-23)26(34)31-15-8-16-32(18-17-31)28(36)39-29(2,3)4/h5-7,9-14,25H,8,15-20H2,1-4H3,(H,30,35)