(phenylmethyl) (3S,4S)-3-[(4-phenylmethoxyphenyl)carbonylamino]-4-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-3-[(4-phenylmethoxyphenyl)carbonylamino]-4-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-azepane-1-carboxylate Openeye Name: benzyl (3S,4S)-3-[(4-benzyloxybenzoyl)amino]-4-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-azepane-1-carboxylate CAS Name: (3S,4S)-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-4-[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-3-[(4-phenylmethoxybenzoyl)amino]-4-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyazepane-1-carboxylate Traditional Name: (3S,4S)-3-[(4-benzoxybenzoyl)amino]-4-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-azepane-1-carboxylic acid benzyl ester Formula: C38H37F3N2O7 MolecularWeight: 690.70479

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC2CCCN(CC2NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CO[C@@](C1=CC=CC=C1)(C(=O)O[C@H]2CCCN(C[C@@H]2NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C38H37F3N2O7/c1-47-37(38(39,40)41,30-16-9-4-10-17-30)35(45)50-33-18-11-23-43(36(46)49-26-28-14-7-3-8-15-28)24-32(33)42-34(44)29-19-21-31(22-20-29)48-25-27-12-5-2-6-13-27/h2-10,12-17,19-22,32-33H,11,18,23-26H2,1H3,(H,42,44)/t32-,33-,37-/m0/s1