(2R)-2-acetamido-3-[3-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[3-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(3-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(3-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(3-bromo-2,5-dihydroxy-phenyl)thio]propionic acid Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=C(C(=CC(=C1)O)Br)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=C(C(=CC(=C1)O)Br)O)C(=O)O

InChI

InChI=1S/C11H12BrNO5S/c1-5(14)13-8(11(17)18)4-19-9-3-6(15)2-7(12)10(9)16/h2-3,8,15-16H,4H2,1H3,(H,13,14)(H,17,18)/t8-/m0/s1