[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35N3O4/c1-15(2)20(21(29)31-13-19(28)27-24(14-25)5-3-4-6-24)26-22(30)23-10-16-7-17(11-23)9-18(8-16)12-23/h15-18,20H,3-13H2,1-2H3,(H,26,30)(H,27,28)/t16?,17?,18?,20-,23?/m1/s1