[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H36N4O4/c1-16(21(30)27-23(15-25)6-3-2-4-7-23)32-20(29)5-8-26-22(31)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h16-19H,2-14H2,1H3,(H,27,30)(H2,26,28,31)