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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (5R,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (5R,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7R)-3-hydroxyadamantane-1-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C12C[C@H]3C[C@H](C1)CC(C3)(C2)O

InChI

InChI=1S/C17H27NO4/c1-10(2)18-14(19)11(3)22-15(20)16-5-12-4-13(6-16)8-17(21,7-12)9-16/h10-13,21H,4-9H2,1-3H3,(H,18,19)/t11-,12+,13+,16?,17?/m0/s1