| CAS Number | 1820579-48-3 |
| Catalog Number | AG00I0EC(AGN-PC-0WQX10) |
| Chemical Name | D-ALa-d-leu-oh tfa |
| IUPAC Name | (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H18N2O3.C2HF3O2/c1-5(2)4-7(9(13)14)11-8(12)6(3)10;3-2(4,5)1(6)7/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14);(H,6,7)/t6-,7-;/m1./s1 |
| InChI Key | WNPZWVQFOYTDAF-ZJLYAJKPSA-N |
| MDL Number | MFCD26793858 |
| Molecular Formula | C11H19F3N2O5 |
| Molecular Weight | 316.2742 |
| SMILES | OC(=O)C(F)(F)F.CC(C[C@H](C(=O)O)NC(=O)[C@H](N)C)C |
| Synonyms | D-Ala-d-leu-oh tfa,
1820579-48-3,
MFCD26793858,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.277g/mol |
| Monoisotopic Mass | 316.125g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number