| SpectraBase Spectrum ID |
9V0OVoCeIcd |
| Name |
2-Acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]-propanoic acid (S-(3-bromo-2,5-dihydroxyphenyl)-mercapturic acid |
| CAS Registry Number |
126190-03-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12BrNO5S |
| 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) |
| InChIKey |
NWHGRDNQEXMEMK-UHFFFAOYSA-N |
| Molecular Weight |
350.183 g/mol |
| SMILES |
OC(C(CSc1c(c(cc(c1)O)Br)O)NC(=O)C)=O |
| SPLASH |
splash10-0006-9000000000-a20e12c173248a78563e |
| Source of Spectrum |
J-55-2741-18 |
| Synonyms |
N-acetyl(3-bromo-2,5-dihydroxyphenyl)cysteine
2-Acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
2-Acetamido-3-(3-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
2-Acetamido-3-(3-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
2-Acetamido-3-[3-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
| Wiley ID |
1341215 |
![2-Acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]-propanoic acid (S-(3-bromo-2,5-dihydroxyphenyl)-mercapturic acid](/api/spectrum/9V0OVoCeIcd/structure.png?h=300&w=458 "2-Acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]-propanoic acid (S-(3-bromo-2,5-dihydroxyphenyl)-mercapturic acid")
