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

Systemtic Name: 2-[[3-[(3-fluorophenyl)methylsulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[1-[(3-fluorophenyl)methylsulfanylmethyl]-2-hydroxy-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[3-[(3-fluorophenyl)methylthio]-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[3-[(3-fluorophenyl)methylsulfanyl]-1-hydroxy-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[1-[[(3-fluorobenzyl)thio]methyl]-2-hydroxy-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C16H19FN2O7S MolecularWeight: 402.394663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H19FN2O7S/c17-10-3-1-2-9(6-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)4-5-13(20)21/h1-3,6,11-12H,4-5,7-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)