2-[[5-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[5-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[1-carboxy-4-[(2-fluoranyl-4-pyridyl)methylsulfanyl]butyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[5-[(2-fluoranyl-4-pyridinyl)methylthio]-1-hydroxy-1-oxopentan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2-fluoranylpyridin-4-yl)methylsulfanyl]-1-hydroxy-1-oxopentan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[1-carboxy-4-[(2-fluoranyl-4-pyridyl)methylthio]butyl]carbamoylamino]glutaric acid Formula: C17H22FN3O7S MolecularWeight: 430.438418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1CSCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C1=CN=C(C=C1CSCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)[18F]

InChI

InChI=1S/C17H22FN3O7S/c18-13-8-10(5-6-19-13)9-29-7-1-2-11(15(24)25)20-17(28)21-12(16(26)27)3-4-14(22)23/h5-6,8,11-12H,1-4,7,9H2,(H,22,23)(H,24,25)(H,26,27)(H2,20,21,28)/i18-1