[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H32N2O5/c1-13(17(24)23-19(26)22-16-5-3-2-4-6-16)28-18(25)20-8-14-7-15(9-20)11-21(27,10-14)12-20/h13-16,27H,2-12H2,1H3,(H2,22,23,24,26)/t13-,14+,15+,20?,21?/m1/s1