methyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)cyclohexanecarbonyl]amino]cyclohexanecarboxylate CAS Name: 2-[[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)cyclohexyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)cyclohexanecarbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C28H41N3O7 MolecularWeight: 531.64104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(C(C1)C(=O)NC2CCCCC2C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(C(C1)C(=O)NC2CCCCC2C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H41N3O7/c1-28(2,3)38-27(35)29-19-14-15-23(31-26(34)37-17-18-10-6-5-7-11-18)21(16-19)24(32)30-22-13-9-8-12-20(22)25(33)36-4/h5-7,10-11,19-23H,8-9,12-17H2,1-4H3,(H,29,35)(H,30,32)(H,31,34)