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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-8(11(16)17)19-12(18)13-3-9-2-10(4-13)6-14(15,5-9)7-13/h8-10H,2-7H2,1H3,(H2,16,17)/t8-,9+,10+,13?,14?/m1/s1