[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H25BrN2O4 MolecularWeight: 401.2954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O4/c1-2-3-19-15(23)20-13(21)9-24-14(22)16-5-11-4-12(6-16)8-17(18,7-11)10-16/h11-12H,2-10H2,1H3,(H2,19,20,21,23)/t11-,12-,16?,17?/m0/s1