2-azanyl-3-[1-[[6-(4-fluoranylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-[[6-(4-fluoranylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-oxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-oxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-[[6-(4-fluorophenoxy)pyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-keto-pyrrolidin-3-yl]thio]propionic acid Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F)SCC(C(=O)O)N

Isomeric SMILES

C1C(CN(C1=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F)SCC(C(=O)O)N

InChI

InChI=1S/C19H20FN3O4S/c20-13-2-4-14(5-3-13)27-17-6-1-12(8-22-17)9-23-10-15(7-18(23)24)28-11-16(21)19(25)26/h1-6,8,15-16H,7,9-11,21H2,(H,25,26)