[(2S)-1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-sulfanylidene-propan-2-yl]azanium fluoride

Systemtic Name: [(2S)-1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-sulfanylidene-propan-2-yl]azanium fluoride Openeye Name: [(1S)-2-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-thioxo-ethyl]ammonium fluoride CAS Name: [(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-sulfanylidenepropan-2-yl]ammonium fluoride IUPAC Name: [(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-sulfanylidenepropan-2-yl]azanium fluoride Traditional Name: [(1S)-2-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-thioxo-ethyl]ammonium fluoride Formula: C13H18FN3O4S MolecularWeight: 331.363123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=S)NCC(=O)NCC(=O)O)[NH3+])O.[F-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=S)NCC(=O)NCC(=O)O)[NH3+])O.[F-]

InChI

InChI=1S/C13H17N3O4S.FH/c14-10(5-8-1-3-9(17)4-2-8)13(21)16-6-11(18)15-7-12(19)20;/h1-4,10,17H,5-7,14H2,(H,15,18)(H,16,21)(H,19,20);1H/t10-;/m0./s1