[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O4/c1-9(12(20)19-14(22)18-2)23-13(21)15-4-10-3-11(5-15)7-16(17,6-10)8-15/h9-11H,3-8H2,1-2H3,(H2,18,19,20,22)/t9-,10-,11-,15?,16?/m0/s1