bis[5-[[2,4-bis(oxidanylidene)-1-pentan-3-yl-pyrimidin-5-yl]carbonylcarbamoylamino]pentyl] dodecanedioate

Systemtic Name: bis[5-[[2,4-bis(oxidanylidene)-1-pentan-3-yl-pyrimidin-5-yl]carbonylcarbamoylamino]pentyl] dodecanedioate Openeye Name: bis[5-[[1-(1-ethylpropyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] dodecanedioate CAS Name: dodecanedioic acid bis[5-[[[[(2,4-dioxo-1-pentan-3-yl-5-pyrimidinyl)-oxomethyl]amino]-oxomethyl]amino]pentyl] ester IUPAC Name: bis[5-[(2,4-dioxo-1-pentan-3-ylpyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate Traditional Name: dodecanedioic acid bis[5-[[1-(1-ethylpropyl)-2,4-diketo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] ester Formula: C44H70N8O12 MolecularWeight: 903.073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)NC2=O)C(CC)CC

Isomeric SMILES

CCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)NC2=O)C(CC)CC

InChI

InChI=1S/C44H70N8O12/c1-5-31(6-2)51-29-33(39(57)49-43(51)61)37(55)47-41(59)45-25-19-15-21-27-63-35(53)23-17-13-11-9-10-12-14-18-24-36(54)64-28-22-16-20-26-46-42(60)48-38(56)34-30-52(32(7-3)8-4)44(62)50-40(34)58/h29-32H,5-28H2,1-4H3,(H,49,57,61)(H,50,58,62)(H2,45,47,55,59)(H2,46,48,56,60)