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

Systemtic Name: (3R,4R)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]-N-(phenylmethyl)azepane-1-carboxamide Openeye Name: (3R,4R)-N-benzyl-3-[(4-benzyloxybenzoyl)amino]-4-hydroxy-azepane-1-carboxamide CAS Name: (3R,4R)-4-hydroxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-N-(phenylmethyl)-1-azepanecarboxamide IUPAC Name: (3R,4R)-N-benzyl-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxamide Traditional Name: (3R,4R)-3-[(4-benzoxybenzoyl)amino]-N-benzyl-4-hydroxy-azepane-1-carboxamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)NCC2=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)NCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C28H31N3O4/c32-26-12-7-17-31(28(34)29-18-21-8-3-1-4-9-21)19-25(26)30-27(33)23-13-15-24(16-14-23)35-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26,32H,7,12,17-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1