[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H25BrN2O4 MolecularWeight: 401.2954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O4/c1-9(2)12(13(21)20-15(19)23)24-14(22)16-4-10-3-11(5-16)7-17(18,6-10)8-16/h9-12H,3-8H2,1-2H3,(H3,19,20,21,23)/t10-,11-,12+,16?,17?/m0/s1