An antioxidant dipeptide.
| Sonrisas canónicas | CN1C=NC=C1CC(C(=O)O)NC(=O)CCN.[N+](=O)(O)[O-] |
|---|---|
| IUPAC Name | (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid;nitric acid |
| InChIKey | OLWOKAYJAHHSNY-QRPNPIFTSA-N |
| INCHI | 1S/C10H16N4O3.HNO3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11;2-1(3)4/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17);(H,2,3,4)/t8-;/m0./s1 |
| Isómeros SMILES | CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN.[N+](=O)(O)[O-] |
| WGK Alemania | 3 |
| PubChem CID | 112071 |
| Peso molecular | 303.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Histidine and derivatives N-acyl-L-alpha-amino acids Beta amino acids and derivatives Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Organic nitrates Heteroaromatic compounds Secondary carboxylic acid amides Organic nitro compounds Organic nitric acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hybrid peptide - Histidine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Heteroaromatic compound - Organic nitrate - Imidazole - Azole - Amino acid - Organic nitro compound - Secondary carboxylic acid amide - Organic nitric acid or derivatives - Organic nitric acid - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
| External Descriptors | Not available |
| Peso molecular | 303.270 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 303.118 Da |
| Monoisotopic Mass | 303.118 Da |
| Topological Polar Surface Area | 176.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
