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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O4/c1-18-12(20)7-19-13(21)8-23-14(22)15-3-10-2-11(4-15)6-16(17,5-10)9-15/h10-11H,2-9H2,1H3,(H,18,20)(H,19,21)/t10-,11-,15?,16?/m0/s1