4-[[2-(3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylselanylphenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylselanylphenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(2-amino-3-hydroxy-1,1-dimethyl-3-oxo-propyl)sulfanylselanylbenzoyl]amino]benzoic acid CAS Name: 4-[[[2-[[(3-amino-4-hydroxy-2-methyl-4-oxobutan-2-yl)thio]seleno]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-amino-4-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanylselanylbenzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[(2-amino-3-hydroxy-3-keto-1,1-dimethyl-propyl)thio]seleno]benzoyl]amino]benzoic acid Formula: C19H20N2O5SSe MolecularWeight: 467.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C(C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O5SSe/c1-19(2,15(20)18(25)26)27-28-14-6-4-3-5-13(14)16(22)21-12-9-7-11(8-10-12)17(23)24/h3-10,15H,20H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)