2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-oxiranyl)-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(oxiran-2-yl)-4-(triflylmethyl)phenyl]propionic acid Formula: C13H14F3NO5S MolecularWeight: 353.31417

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)CS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO5S/c14-13(15,16)23(20,21)6-8-2-1-7(4-10(17)12(18)19)3-9(8)11-5-22-11/h1-3,10-11H,4-6,17H2,(H,18,19)