sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5R,6R)-6-(acetamidomethyl)-3-tert-butyl-7-keto-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H17N2NaO5 MolecularWeight: 304.27425

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1C2N(C1=O)C(=C(O2)C(C)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC[C@@H]1[C@@H]2N(C1=O)C(=C(O2)C(C)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H18N2O5.Na/c1-6(16)14-5-7-10(17)15-8(12(18)19)9(13(2,3)4)20-11(7)15;/h7,11H,5H2,1-4H3,(H,14,16)(H,18,19);/q;+1/p-1/t7-,11+;/m0./s1