[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H36N4O4 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2)C4(CCCCC4)C#N

InChI

InChI=1S/C24H36N4O4/c1-28(24(16-25)6-3-2-4-7-24)20(29)15-32-21(30)5-8-26-22(31)27-23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,2-15H2,1H3,(H2,26,27,31)