(2S,5R)-1-acetamido-2-(4-azanyl-1,3-thiazol-2-yl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R)-1-acetamido-2-(4-azanyl-1,3-thiazol-2-yl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R)-1-acetamido-2-(4-aminothiazol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R)-1-acetamido-2-(4-amino-2-thiazolyl)-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R)-1-acetamido-2-(4-amino-1,3-thiazol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R)-1-acetamido-2-(4-aminothiazol-2-yl)-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H17N4O4S2+ MolecularWeight: 357.42848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]12C(CC1=O)SC(C2(C3=NC(=CS3)N)C(=O)O)(C)C

Isomeric SMILES

CC(=O)N[N+]12[C@@H](CC1=O)SC([C@]2(C3=NC(=CS3)N)C(=O)O)(C)C

InChI

InChI=1S/C13H16N4O4S2/c1-6(18)16-17-8(19)4-9(17)23-12(2,3)13(17,11(20)21)10-15-7(14)5-22-10/h5,9H,4,14H2,1-3H3,(H-,16,18,20,21)/p+1/t9-,13+,17?/m1/s1