[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H33N3O4/c1-13(2)21(4,12-23)25-19(27)14(3)29-18(26)11-24-20(28)22-8-15-5-16(9-22)7-17(6-15)10-22/h13-17H,5-11H2,1-4H3,(H,24,28)(H,25,27)