2-azanyl-3-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[1-(difluoromethyl)-2-imidazolyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[1-(difluoromethyl)imidazol-2-yl]methylthio]propionic acid Formula: C8H11F2N3O2S MolecularWeight: 251.253646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)CSCC(C(=O)O)N)C(F)F

Isomeric SMILES

C1=CN(C(=N1)CSCC(C(=O)O)N)C(F)F

InChI

InChI=1S/C8H11F2N3O2S/c9-8(10)13-2-1-12-6(13)4-16-3-5(11)7(14)15/h1-2,5,8H,3-4,11H2,(H,14,15)