octyl 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: octyl 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: octyl 4-[[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-[4-(4-pyridylmethoxy)phenyl]propanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propyl]amino]methyl]-1-cyclohexanecarboxylic acid octyl ester IUPAC Name: octyl 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-[4-(4-pyridylmethoxy)phenyl]propanoyl]amino]methyl]cyclohexanecarboxylic acid octyl ester Formula: C44H66N4O7 MolecularWeight: 763.01744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCC(CC1)CNC(=O)C(CC2=CC=C(C=C2)OCC3=CC=NC=C3)NC(=O)C4CCC(CC4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1CCC(CC1)CNC(=O)[C@H](CC2=CC=C(C=C2)OCC3=CC=NC=C3)NC(=O)C4CCC(CC4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C44H66N4O7/c1-5-6-7-8-9-10-27-53-42(51)37-19-13-33(14-20-37)29-46-41(50)39(28-32-15-21-38(22-16-32)54-31-35-23-25-45-26-24-35)48-40(49)36-17-11-34(12-18-36)30-47-43(52)55-44(2,3)4/h15-16,21-26,33-34,36-37,39H,5-14,17-20,27-31H2,1-4H3,(H,46,50)(H,47,52)(H,48,49)/t33?,34?,36?,37?,39-/m0/s1