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

Systemtic Name: 3,3-dimethyl-6-(octadecanoyloxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-(octadecanoyloxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-(1-oxooctadecoxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-(octadecanoyloxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-(stearoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C27H47NO5S MolecularWeight: 497.73078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

InChI

InChI=1S/C27H47NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(29)33-20-21-24(30)28-23(26(31)32)27(2,3)34-25(21)28/h21,23,25H,4-20H2,1-3H3,(H,31,32)