tert-butyl (3S,4S)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-[(4-benzyloxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylate CAS Name: (3S,4S)-4-hydroxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxylate Traditional Name: (3S,4S)-3-[(4-benzoxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylic acid tert-butyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H32N2O5/c1-25(2,3)32-24(30)27-15-7-10-22(28)21(16-27)26-23(29)19-11-13-20(14-12-19)31-17-18-8-5-4-6-9-18/h4-6,8-9,11-14,21-22,28H,7,10,15-17H2,1-3H3,(H,26,29)/t21-,22-/m0/s1