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

Systemtic Name: ditert-butyl 4-(hexadecylcarbamoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-(hexadecylcarbamoylamino)heptanedioate CAS Name: 4-[[(hexadecylamino)-oxomethyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(hexadecylcarbamoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-(cetylcarbamoylamino)pimelic acid ditert-butyl ester Formula: C39H74N2O7 MolecularWeight: 683.01406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H74N2O7/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-40-35(45)41-39(28-25-32(42)46-36(2,3)4,29-26-33(43)47-37(5,6)7)30-27-34(44)48-38(8,9)10/h11-31H2,1-10H3,(H2,40,41,45)