2-[[3-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[3-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[1-[(2-fluoranyl-4-pyridyl)methylsulfanylmethyl]-2-hydroxy-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[3-[(2-fluoranyl-4-pyridinyl)methylthio]-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[3-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-hydroxy-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[1-[[(2-fluoranyl-4-pyridyl)methylthio]methyl]-2-hydroxy-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C15H18FN3O7S MolecularWeight: 402.385258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C1=CN=C(C=C1CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)[18F]

InChI

InChI=1S/C15H18FN3O7S/c16-11-5-8(3-4-17-11)6-27-7-10(14(24)25)19-15(26)18-9(13(22)23)1-2-12(20)21/h3-5,9-10H,1-2,6-7H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/i16-1