methyl 2-[[(3R,4R)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepan-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(3R,4R)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepan-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3R,4R)-3-[(4-benzyloxybenzoyl)amino]-4-hydroxy-azepane-1-carbonyl]amino]benzoate CAS Name: 2-[[[(3R,4R)-4-hydroxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1-azepanyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3R,4R)-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[(3R,4R)-3-[(4-benzoxybenzoyl)amino]-4-hydroxy-azepane-1-carbonyl]amino]benzoic acid methyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H31N3O6/c1-37-28(35)23-10-5-6-11-24(23)31-29(36)32-17-7-12-26(33)25(18-32)30-27(34)21-13-15-22(16-14-21)38-19-20-8-3-2-4-9-20/h2-6,8-11,13-16,25-26,33H,7,12,17-19H2,1H3,(H,30,34)(H,31,36)/t25-,26-/m1/s1