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

Systemtic Name: ditert-butyl 4-(docosylcarbamoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-(docosylcarbamoylamino)heptanedioate CAS Name: 4-[[(docosylamino)-oxomethyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(docosylcarbamoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-(behenylcarbamoylamino)-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C45H86N2O7 MolecularWeight: 767.17354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H86N2O7/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37-46-41(51)47-45(34-31-38(48)52-42(2,3)4,35-32-39(49)53-43(5,6)7)36-33-40(50)54-44(8,9)10/h11-37H2,1-10H3,(H2,46,47,51)