tert-butyl 1-[[1-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]cycloheptyl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: tert-butyl 1-[[1-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]cycloheptyl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: tert-butyl 1-[[1-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptanecarbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[oxo-[1-[[oxo-[1-(phenylmethoxycarbonylamino)cycloheptyl]methyl]amino]cycloheptyl]methyl]amino]-1-cycloheptanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[1-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptanecarbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[1-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptanecarbonyl]amino]cycloheptanecarboxylic acid tert-butyl ester Formula: C36H55N3O6 MolecularWeight: 625.8384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCCC1)NC(=O)C2(CCCCCC2)NC(=O)C3(CCCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCCC1)NC(=O)C2(CCCCCC2)NC(=O)C3(CCCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H55N3O6/c1-33(2,3)45-31(42)36(25-17-8-9-18-26-36)38-29(40)34(21-13-4-5-14-22-34)37-30(41)35(23-15-6-7-16-24-35)39-32(43)44-27-28-19-11-10-12-20-28/h10-12,19-20H,4-9,13-18,21-27H2,1-3H3,(H,37,41)(H,38,40)(H,39,43)