2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid
Also Known As: CYSTEINYLDOPA, 5-S-Cysteinyldopa, 5 S Cysteinyldopa, 5-S-Cysteinyl-D-dopa, J2.369.456E, S-(5-(2-Amino-2-carboxyethyl)-2,3-dihydroxyphenyl)cysteine, 2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid, 2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid, 2-amino-3-{[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]sulfanyl}propanoic acid, 2-amino-3-[3-(2-amino-2-carboxyethyl)sulanyl-4,5-dihydroxyphenyl]propanoic acid, 2-amino-3-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid
| Molecular Formula | C12H16N2O6S |
|---|---|
| Molecular Weight | 316.0729 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 167.1 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.0729 |
| Heavy Atoms | 21 |
| Complexity | 550 |
Chemical Identifiers
| CAS Number | 19641-92-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)N |
Product Overview
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid (CAS 19641-92-0), with molecular formula C12H16N2O6S and molecular weight 316.0729 g/mol. IUPAC: 2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid.
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