methyl 2-methyl-2-[[(1S,4Z,8R)-8-[[2-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]cyclooct-4-en-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[(1S,4Z,8R)-8-[[2-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]cyclooct-4-en-1-yl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[(1S,4Z,8R)-8-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]cyclooct-4-ene-1-carbonyl]amino]propanoate CAS Name: 2-methyl-2-[[[(1S,4Z,8R)-8-[[2-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1-cyclooct-4-enyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[(1S,4Z,8R)-8-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]cyclooct-4-ene-1-carbonyl]amino]propanoate Traditional Name: 2-methyl-2-[[(1S,4Z,8R)-8-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]cyclooct-4-ene-1-carbonyl]amino]propionic acid methyl ester Formula: C20H30F3N3O5 MolecularWeight: 449.46451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CCC=CCCC1C(=O)NC(C)(C)C(=O)OC)NC(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)N[C@@H]1CC/C=C\CC[C@@H]1C(=O)NC(C)(C)C(=O)OC)NC(=O)C(F)(F)F

InChI

InChI=1S/C20H30F3N3O5/c1-18(2,26-16(29)20(21,22)23)15(28)24-13-11-9-7-6-8-10-12(13)14(27)25-19(3,4)17(30)31-5/h6-7,12-13H,8-11H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)/b7-6-/t12-,13+/m0/s1