[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4CCC=CC4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)[C@H]4CCC=CC4

InChI

InChI=1S/C21H30N2O4/c1-13(27-19(25)17-5-3-2-4-6-17)18(24)22-20(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,13-17H,4-12H2,1H3,(H2,22,23,24,26)/t13-,14?,15?,16?,17-,21?/m1/s1