Desthiazolylmethyl Ritonavir, an analog of the selective HIV-1 protease inhibitor Ritonavir .
| Pubchem Sid | 504770512 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770512 |
| Sonrisas canónicas | CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2C(NC(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4 |
| IUPAC Name | (2S)-N-[(2S)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide |
| InChIKey | YIFUFODEQQNFLV-AMEOFWRWSA-N |
| INCHI | 1S/C33H43N5O4S/c1-21(2)29(37-32(40)38(5)19-26-20-43-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28-27(36-33(41)42-28)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29H,16-19H2,1-5H3,(H,34,39)(H,36,41)(H,37,40)/t25-,27-,28-,29-/m0/s1 |
| Isómeros SMILES | CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H]2[C@@H](NC(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4 |
| PubChem CID | 45038913 |
| Peso molecular | 605.79 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 |
| Direct Parent | N-carbamoyl-alpha amino acids and derivatives |
| Alternative Parents | Valine and derivatives Alpha amino acid amides Amphetamines and derivatives 2,4-disubstituted thiazoles Oxazolidinones N-acyl amines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Ureas Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Oxazolidinone - Azole - Heteroaromatic compound - Carbamic acid ester - Oxazolidine - Thiazole - Carboxamide group - Carbonic acid derivative - Urea - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 J2517754 | Certificate of Analysis | Oct 29, 2025 | D339230 |
| H2220170 | Certificate of Analysis | Jun 09, 2025 | D339230 |
| H2220188 | Certificate of Analysis | Jun 09, 2025 | D339230 |
| H2220189 | Certificate of Analysis | Jun 09, 2025 | D339230 |
| H2220190 | Certificate of Analysis | Jun 09, 2025 | D339230 |
| Solubilidad | Soluble in methanol, DMSO, and chloroform. |
|---|---|
| Índice de refracción | n20D1.58 (Predicted) |
| Punto de ebullición (°C) | 874.00° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 65-69° C |
| Peso molecular | 605.800 g/mol |
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Exact Mass | 605.304 Da |
| Monoisotopic Mass | 605.304 Da |
| Topological Polar Surface Area | 141.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 908.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 | 1 |
