| CAS Number | 59247-16-4 |
| Catalog Number | AG003PTE(AGN-PC-0OCVDL) |
| Chemical Name | DL-Alanyl-L-alanine |
| IUPAC Name | (2S)-2-(2-aminopropanoylamino)propanoic acid |
| InChI | InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1 |
| InChI Key | DEFJQIDDEAULHB-BKLSDQPFSA-N |
| MDL Number | MFCD00070560 |
| Molecular Formula | C6H12N2O3 |
| Molecular Weight | 160.1711 |
| SMILES | C[C@@H](C(O)=O)NC(C(C)N)=O |
| Synonyms | dl-Alanyl-l-alanine,
59247-16-4,
(2S)-2-(2-Aminopropanamido)propanoic acid,
dl-alanylalanine,
alanyl-l-alanine,
H-DL-Ala-Ala-OH,
N-(2-Aminopropionyl)alanine,
SCHEMBL5161799,
CTK1G7863,
DTXSID50659845,
ANW-33203,
MFCD00070560,
AKOS010398390,
AKOS015854504,
KS-0000138Z,
TR-020561,
A0672,
FT-0693019,
I14-55702,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.173g/mol |
| Monoisotopic Mass | 160.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.3 |
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Certificate of Analysis
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