methyl (2S)-5-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-5-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate Openeye Name: methyl (2S)-5-[(6-chloropyridazin-3-yl)amino]-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate CAS Name: (2S)-5-[(6-chloro-3-pyridazinyl)amino]-4-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[(6-chloropyridazin-3-yl)amino]-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Traditional Name: (2S)-5-[(6-chloropyridazin-3-yl)amino]-4-keto-2-[(2,2,2-trifluoroacetyl)amino]valeric acid methyl ester Formula: C12H12ClF3N4O4 MolecularWeight: 368.69629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)CNC1=NN=C(C=C1)Cl)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CC(=O)CNC1=NN=C(C=C1)Cl)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H12ClF3N4O4/c1-24-10(22)7(18-11(23)12(14,15)16)4-6(21)5-17-9-3-2-8(13)19-20-9/h2-3,7H,4-5H2,1H3,(H,17,20)(H,18,23)/t7-/m0/s1