[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propionic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C16H20F3N3O6 MolecularWeight: 407.34171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C16H20F3N3O6/c17-16(18,19)8-20-15(27)21-11(23)7-28-12(24)5-6-22-13(25)9-3-1-2-4-10(9)14(22)26/h9-10H,1-8H2,(H2,20,21,23,27)/t9-,10-/m0/s1