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(3S)-4-oxidanylidene-3-(2-sulfanylethanoylamino)pentanoic acid; 2-oxidanyl-5-(2-sulfanylethylsulfamoyl)benzoic acid

(3S)-4-oxidanylidene-3-(2-sulfanylethanoylamino)pentanoic acid; 2-oxidanyl-5-(2-sulfanylethylsulfamoyl)benzoic acid

Systemtic Name:(3S)-4-oxidanylidene-3-(2-sulfanylethanoylamino)pentanoic acid; 2-oxidanyl-5-(2-sulfanylethylsulfamoyl)benzoic acid
Openeye Name:2-hydroxy-5-(2-sulfanylethylsulfamoyl)benzoic acid; (3S)-4-oxo-3-[(2-sulfanylacetyl)amino]pentanoic acid
CAS Name:2-hydroxy-5-(2-mercaptoethylsulfamoyl)benzoic acid; (3S)-3-[(2-mercapto-1-oxoethyl)amino]-4-oxopentanoic acid
IUPAC Name:2-hydroxy-5-(2-sulfanylethylsulfamoyl)benzoic acid; (3S)-4-oxo-3-[(2-sulfanylacetyl)amino]pentanoic acid
Traditional Name:2-hydroxy-5-(2-mercaptoethylsulfamoyl)benzoic acid; (3S)-4-keto-3-[(2-mercaptoacetyl)amino]valeric acid
Formula: C16H22N2O9S3
MolecularWeight: 482.54888
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)O)NC(=O)CS.C1=CC(=C(C=C1S(=O)(=O)NCCS)C(=O)O)O


Isomeric SMILES

CC(=O)[C@H](CC(=O)O)NC(=O)CS.C1=CC(=C(C=C1S(=O)(=O)NCCS)C(=O)O)O


InChI

InChI=1S/C9H11NO5S2.C7H11NO4S/c11-8-2-1-6(5-7(8)9(12)13)17(14,15)10-3-4-16;1-4(9)5(2-7(11)12)8-6(10)3-13/h1-2,5,10-11,16H,3-4H2,(H,12,13);5,13H,2-3H2,1H3,(H,8,10)(H,11,12)/t;5-/m.0/s1


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