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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](C(=O)O)N)/C(=O)O)C |
|---|---|
| IUPAC Name | (Z)-7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid |
| InChIKey | DHSUYTOATWAVLW-OYHMZJHOSA-N |
| INCHI | 1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11-/m1/s1 |
| Peso molecular | 358.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Cysteine and derivatives S-alkyl-L-cysteines D-alpha-amino acids Medium-chain fatty acids Dicarboxylic acids and derivatives Unsaturated fatty acids Cyclopropanecarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Dialkylthioethers Carboxylic acids Sulfenyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Cysteine or derivatives - S-alkyl-l-cysteine - Alpha-amino acid - D-alpha-amino acid - Medium-chain fatty acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Sulfenyl compound - Dialkylthioether - Thioether - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organosulfur compound - Primary amine - Amine - Carbonyl group - Organic oxide - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Peso molecular | 358.500 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 358.156 Da |
| Monoisotopic Mass | 358.156 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 519.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |