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

Systemtic Name: 2-[[4-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[1-carboxy-3-[(2-fluoranyl-4-pyridyl)methylsulfanyl]propyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[4-[(2-fluoranyl-4-pyridinyl)methylthio]-1-hydroxy-1-oxobutan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-hydroxy-1-oxobutan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[1-carboxy-3-[(2-fluoranyl-4-pyridyl)methylthio]propyl]carbamoylamino]glutaric acid Formula: C16H20FN3O7S MolecularWeight: 416.411838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1CSCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C1=CN=C(C=C1CSCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)[18F]

InChI

InChI=1S/C16H20FN3O7S/c17-12-7-9(3-5-18-12)8-28-6-4-11(15(25)26)20-16(27)19-10(14(23)24)1-2-13(21)22/h3,5,7,10-11H,1-2,4,6,8H2,(H,21,22)(H,23,24)(H,25,26)(H2,19,20,27)/i17-1