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

Systemtic Name: 6-(dodecanoylcarbamoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-(dodecanoylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[[oxo-(1-oxododecylamino)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-(dodecanoylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-(lauroylcarbamoylamino)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

InChI

InChI=1S/C21H35N3O5S/c1-4-5-6-7-8-9-10-11-12-13-14(25)22-20(29)23-15-17(26)24-16(19(27)28)21(2,3)30-18(15)24/h15-16,18H,4-13H2,1-3H3,(H,27,28)(H2,22,23,25,29)