(phenylmethyl) (3R,4R)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4R)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate Openeye Name: benzyl (3R,4R)-3-[(4-benzyloxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylate CAS Name: (3R,4R)-4-hydroxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxylate Traditional Name: (3R,4R)-3-[(4-benzoxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylic acid benzyl ester Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O5/c31-26-12-7-17-30(28(33)35-20-22-10-5-2-6-11-22)18-25(26)29-27(32)23-13-15-24(16-14-23)34-19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-26,31H,7,12,17-20H2,(H,29,32)/t25-,26-/m1/s1