| CAS Number | 65022-17-5 |
| Catalog Number | AG00EC6E(AGN-PC-0TF03E) |
| Chemical Name | H-Ala-Pro-Pna HCl |
| IUPAC Name | (2S)-1-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C14H18N4O4.ClH/c1-9(15)14(20)17-8-2-3-12(17)13(19)16-10-4-6-11(7-5-10)18(21)22;/h4-7,9,12H,2-3,8,15H2,1H3,(H,16,19);1H/t9-,12-;/m0./s1 |
| InChI Key | MYWOEAKMMDWWIZ-CSDGMEMJSA-N |
| MDL Number | MFCD00155539 |
| Molecular Formula | C14H19ClN4O4 |
| Molecular Weight | 342.7781 |
| SMILES | O=C([C@@H]1CCCN1C(=O)[C@@H](N)C)Nc1ccc(cc1)[N+](=O)[O-].Cl |
| Synonyms | H-Ala-Pro-pNA HCl,
65022-17-5,
H-Ala-Pro-pNA hydrochloride,
H-Ala-Pro-Pna-HCl,
C14H18N4O4.HCl,
CTK8G0125,
DTXSID60628401,
7053AH,
MFCD00155539,
AKOS030242602,
C-27765,
L-Alanyl-N-(4-nitrophenyl)-L-prolinamide--hydrogen chloride (1/1),
(S)-1-((S)-2-aminopropanoyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide hydrochloride,
H-Ala-Pro-pNA.HCl,
H-ALA-PRO-PNAHCL,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.78g/mol |
| Monoisotopic Mass | 342.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number