| CAS Number | 169700-89-4 |
| Catalog Number | AG00HZC2(AGN-PC-0WR3PI) |
| Chemical Name | (2S,4S)-2-Amino-4-benzylpentanedioic acid hydrochloride |
| IUPAC Name | (2S,4S)-2-amino-4-benzylpentanedioic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO4.ClH/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17);1H/t9-,10-;/m0./s1 |
| InChI Key | YHPLSUDKIMKECP-IYPAPVHQSA-N |
| MDL Number | MFCD29920295 |
| Molecular Formula | C12H16ClNO4 |
| Molecular Weight | 273.7127 |
| SMILES | Cl.N[C@@H](C[C@H](CC1=CC=CC=C1)C(O)=O)C(O)=O |
| Synonyms | (4S)-4-Benzyl-L-glutamic acid HCl,
169700-89-4,
MFCD29920295,
AS-36331,
(2S,4S)-2-Amino-4-benzylpentanedioic acid hydrochloride,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.713g/mol |
| Monoisotopic Mass | 273.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number