(2-azanyl-2-oxidanylidene-ethyl) (2S,5R)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S,5R)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5R)-7-keto-6-sulfoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C9H13N3O8S MolecularWeight: 323.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)OCC(=O)N

Isomeric SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)OCC(=O)N

InChI

InChI=1S/C9H13N3O8S/c10-7(13)4-19-8(14)6-2-1-5-3-11(6)9(15)12(5)20-21(16,17)18/h5-6H,1-4H2,(H2,10,13)(H,16,17,18)/t5-,6+/m1/s1