[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H34N4O6/c30-21(28-5-7-29(8-6-28)23(32)20-2-1-9-34-20)16-35-22(31)3-4-26-24(33)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-2,9,17-19H,3-8,10-16H2,(H2,26,27,33)