(2R)-2-acetamido-3-(5-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-(5-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(5-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(5-bromo-6-hydroxy-1-cyclohexa-2,4-dienyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(5-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(5-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)thio]propionic acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1C=CC=C(C1O)Br)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1C=CC=C(C1O)Br)C(=O)O

InChI

InChI=1S/C11H14BrNO4S/c1-6(14)13-8(11(16)17)5-18-9-4-2-3-7(12)10(9)15/h2-4,8-10,15H,5H2,1H3,(H,13,14)(H,16,17)/t8-,9?,10?/m0/s1