(phenylmethyl) N-[1-[2-[4-[6-[[4-[2-[2,4-bis(oxidanylidene)-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl]piperazin-1-yl]carbonylamino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbonylcarbamate

Systemtic Name: (phenylmethyl) N-[1-[2-[4-[6-[[4-[2-[2,4-bis(oxidanylidene)-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl]piperazin-1-yl]carbonylamino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbonylcarbamate Openeye Name: benzyl N-[1-[2-[4-[6-[[4-[2-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate CAS Name: N-[[1-[2-[4-[[6-[[[4-[2-[2,4-dioxo-5-[oxo(phenylmethoxycarbonylamino)methyl]-1-pyrimidinyl]ethyl]-1-piperazinyl]-oxomethyl]amino]hexylamino]-oxomethyl]-1-piperazinyl]ethyl]-2,4-dioxo-5-pyrimidinyl]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-[4-[6-[[4-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate Traditional Name: N-[1-[2-[4-[6-[[4-[2-[5-(carbobenzoxycarbamoyl)-2,4-diketo-pyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazino]ethyl]-2,4-diketo-pyrimidine-5-carbonyl]carbamic acid benzyl ester Formula: C46H58N12O12 MolecularWeight: 971.02592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NCCCCCCNC(=O)N4CCN(CC4)CCN5C=C(C(=O)NC5=O)C(=O)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NCCCCCCNC(=O)N4CCN(CC4)CCN5C=C(C(=O)NC5=O)C(=O)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C46H58N12O12/c59-37-35(39(61)51-45(67)69-31-33-11-5-3-6-12-33)29-57(43(65)49-37)27-21-53-17-23-55(24-18-53)41(63)47-15-9-1-2-10-16-48-42(64)56-25-19-54(20-26-56)22-28-58-30-36(38(60)50-44(58)66)40(62)52-46(68)70-32-34-13-7-4-8-14-34/h3-8,11-14,29-30H,1-2,9-10,15-28,31-32H2,(H,47,63)(H,48,64)(H,49,59,65)(H,50,60,66)(H,51,61,67)(H,52,62,68)