| CAS Number | 184955-21-3 |
| Catalog Number | AG00AD9R(AGN-PC-0QDT1J) |
| Chemical Name | Dioxindolyl-L-alanine (Mixture of Diastereomers) |
| IUPAC Name | 2-amino-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid |
| InChI | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7?,11-/m0/s1 |
| InChI Key | BZRCOYDQHJWPQZ-QRIDDKLISA-N |
| MDL Number | MFCD21364455 |
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.2240 |
| SMILES | C([C@@H](C(O)=O)N)C1(O)C=2C(NC1=O)=CC=CC2 |
| Synonyms | dioxindolyl-l-alanine,
184955-21-3,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.227g/mol |
| Monoisotopic Mass | 236.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
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Certificate of Analysis
Lot Number