ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(octadecylcarbamoylamino)heptanedioate

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(octadecylcarbamoylamino)heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-(octadecylcarbamoylamino)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[(octadecylamino)-oxomethyl]amino]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(octadecylcarbamoylamino)heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-(stearylcarbamoylamino)pimelic acid ditert-butyl ester Formula: C41H78N2O7 MolecularWeight: 711.06722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C41H78N2O7/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33-42-37(47)43-41(30-27-34(44)48-38(2,3)4,31-28-35(45)49-39(5,6)7)32-29-36(46)50-40(8,9)10/h11-33H2,1-10H3,(H2,42,43,47)