[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C#N

InChI

InChI=1S/C24H31N3O4/c1-13-19(14(2)26-23(30)20(13)12-25)4-5-21(28)31-15(3)22(29)27-24-9-16-6-17(10-24)8-18(7-16)11-24/h15-18H,4-11H2,1-3H3,(H,26,30)(H,27,29)/t15-,16?,17?,18?,24?/m1/s1