[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)O[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(C)C

InChI

InChI=1S/C22H31N3O5/c1-11(2)18-17(12(3)25-30-18)20(27)29-13(4)19(26)23-21(28)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h11,13-16H,5-10H2,1-4H3,(H2,23,24,26,28)/t13-,14?,15?,16?,22?/m1/s1