tert-butyl N-[1-cyclohexyl-7-methyl-3-(oxan-2-yloxy)-5-[5-(phenylmethoxycarbonylamino)pentylcarbamoyl]octan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-7-methyl-3-(oxan-2-yloxy)-5-[5-(phenylmethoxycarbonylamino)pentylcarbamoyl]octan-2-yl]carbamate Openeye Name: tert-butyl N-[4-[5-(benzyloxycarbonylamino)pentylcarbamoyl]-1-(cyclohexylmethyl)-6-methyl-2-tetrahydropyran-2-yloxy-heptyl]carbamate CAS Name: N-[1-cyclohexyl-7-methyl-3-(2-oxanyloxy)-5-[oxo-[5-(phenylmethoxycarbonylamino)pentylamino]methyl]octan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-7-methyl-3-(oxan-2-yloxy)-5-[5-(phenylmethoxycarbonylamino)pentylcarbamoyl]octan-2-yl]carbamate Traditional Name: N-[4-[5-(benzyloxycarbonylamino)pentylcarbamoyl]-1-(cyclohexylmethyl)-6-methyl-2-tetrahydropyran-2-yloxy-heptyl]carbamic acid tert-butyl ester Formula: C39H65N3O7 MolecularWeight: 687.9493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)OC(C)(C)C)OC2CCCCO2)C(=O)NCCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)OC(C)(C)C)OC2CCCCO2)C(=O)NCCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H65N3O7/c1-29(2)25-32(36(43)40-22-14-8-15-23-41-37(44)47-28-31-19-11-7-12-20-31)27-34(48-35-21-13-16-24-46-35)33(26-30-17-9-6-10-18-30)42-38(45)49-39(3,4)5/h7,11-12,19-20,29-30,32-35H,6,8-10,13-18,21-28H2,1-5H3,(H,40,43)(H,41,44)(H,42,45)