2-[[6-[(6-fluoranylpyridin-3-yl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[6-[(6-fluoranylpyridin-3-yl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[1-carboxy-5-[(6-fluoranylpyridine-3-carbonyl)amino]pentyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[6-[[(6-fluoranyl-3-pyridinyl)-oxomethyl]amino]-1-hydroxy-1-oxohexan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[6-[(6-fluoranylpyridine-3-carbonyl)amino]-1-hydroxy-1-oxohexan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[1-carboxy-5-[(6-fluoranylnicotinoyl)amino]pentyl]carbamoylamino]glutaric acid Formula: C18H23FN4O8 MolecularWeight: 441.398158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC(=NC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)[18F]

InChI

InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/i19-1