[(2S,5R)-2-[[(3R,4S)-3-fluoranylazepan-4-yl]carbamoyl]-7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Systemtic Name: [(2S,5R)-2-[[(3R,4S)-3-fluoranylazepan-4-yl]carbamoyl]-7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate Openeye Name: [(2S,5R)-2-[[(3R,4S)-3-fluoroazepan-4-yl]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate CAS Name: sulfuric acid [(2S,5R)-2-[[[(3R,4S)-3-fluoro-4-azepanyl]amino]-oxomethyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] ester IUPAC Name: [(2S,5R)-2-[[(3R,4S)-3-fluoroazepan-4-yl]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2S,5R)-2-[[(3R,4S)-3-fluoroazepan-4-yl]carbamoyl]-7-keto-1,6-diazabicyclo[3.2.1]octan-6-yl] ester Formula: C13H21FN4O6S MolecularWeight: 380.392443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)F)NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O

Isomeric SMILES

C1C[C@@H]([C@@H](CNC1)F)NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O

InChI

InChI=1S/C13H21FN4O6S/c14-9-6-15-5-1-2-10(9)16-12(19)11-4-3-8-7-17(11)13(20)18(8)24-25(21,22)23/h8-11,15H,1-7H2,(H,16,19)(H,21,22,23)/t8-,9-,10+,11+/m1/s1