3,3-dimethyl-7-oxidanylidene-6-[[1-(phenylcarbamoylamino)cyclohexyl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[[1-(phenylcarbamoylamino)cyclohexyl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[[1-(phenylcarbamoylamino)cyclohexanecarbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[[1-[[anilino(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[[1-(phenylcarbamoylamino)cyclohexanecarbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[[1-(phenylcarbamoylamino)cyclohexanecarbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)NC(=O)NC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)NC(=O)NC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C22H28N4O5S/c1-21(2)15(18(28)29)26-16(27)14(17(26)32-21)24-19(30)22(11-7-4-8-12-22)25-20(31)23-13-9-5-3-6-10-13/h3,5-6,9-10,14-15,17H,4,7-8,11-12H2,1-2H3,(H,24,30)(H,28,29)(H2,23,25,31)