(2R)-2-acetamido-3-[2-bromanyl-3,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[2-bromanyl-3,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(2-bromo-3,6-dihydroxy-phenyl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(2-bromo-3,6-dihydroxyphenyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(2-bromo-3,6-dihydroxyphenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(2-bromo-3,6-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(=C1Br)O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=C(C=CC(=C1Br)O)O)C(=O)O

InChI

InChI=1S/C11H12BrNO5S/c1-5(14)13-6(11(17)18)4-19-10-8(16)3-2-7(15)9(10)12/h2-3,6,15-16H,4H2,1H3,(H,13,14)(H,17,18)/t6-/m0/s1