methyl 1-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]isonipecotic acid methyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCC(CC4)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C21H33N3O4/c1-13(24-5-3-17(4-6-24)19(26)28-2)18(25)22-20(27)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,3-12H2,1-2H3,(H2,22,23,25,27)/t13-,14?,15?,16?,21?/m1/s1