methyl (2S)-3,3,3-tris(fluoranyl)-2-[(5-methylpyridin-1-ium-2-yl)amino]-2-(2-phenylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3,3,3-tris(fluoranyl)-2-[(5-methylpyridin-1-ium-2-yl)amino]-2-(2-phenylethanoylamino)propanoate Openeye Name: methyl (2S)-3,3,3-trifluoro-2-[(5-methylpyridin-1-ium-2-yl)amino]-2-[(2-phenylacetyl)amino]propanoate CAS Name: (2S)-3,3,3-trifluoro-2-[(5-methyl-2-pyridin-1-iumyl)amino]-2-[(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3,3,3-trifluoro-2-[(5-methylpyridin-1-ium-2-yl)amino]-2-[(2-phenylacetyl)amino]propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-[(5-methylpyridin-1-ium-2-yl)amino]-2-[(2-phenylacetyl)amino]propionic acid methyl ester Formula: C18H19F3N3O3+ MolecularWeight: 382.35697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N[C@](C(=O)OC)(C(F)(F)F)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H18F3N3O3/c1-12-8-9-14(22-11-12)23-17(16(26)27-2,18(19,20)21)24-15(25)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,22,23)(H,24,25)/p+1/t17-/m0/s1