methyl (2S)-3-phenyl-2-[5-(trifluoromethylsulfonylamino)pentanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[5-(trifluoromethylsulfonylamino)pentanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[5-(trifluoromethylsulfonylamino)pentanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-5-(trifluoromethylsulfonylamino)pentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[5-(trifluoromethylsulfonylamino)pentanoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[5-(triflylamino)pentanoylamino]propionic acid methyl ester Formula: C16H21F3N2O5S MolecularWeight: 410.40855

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCNS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H21F3N2O5S/c1-26-15(23)13(11-12-7-3-2-4-8-12)21-14(22)9-5-6-10-20-27(24,25)16(17,18)19/h2-4,7-8,13,20H,5-6,9-11H2,1H3,(H,21,22)/t13-/m0/s1