3,3-dimethyl-7-oxidanylidene-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(4-hydroxy-4-oxo-butanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(4-hydroxy-1,4-dioxobutyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(4-hydroxy-4-oxobutanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(4-hydroxy-4-keto-butanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CCC(=O)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CCC(=O)O)C(=O)O)C

InChI

InChI=1S/C12H16N2O6S/c1-12(2)8(11(19)20)14-9(18)7(10(14)21-12)13-5(15)3-4-6(16)17/h7-8,10H,3-4H2,1-2H3,(H,13,15)(H,16,17)(H,19,20)