Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Shipped at 4°C. Store at -20°C. Store under desiccating conditions.
| Sonrisas canónicas | CC(C)CC(C(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate |
| InChIKey | YXRKBEPGVHOXSV-QORCZRPOSA-N |
| INCHI | 1S/C32H43FN6O10/c1-19(2)12-24(39-32(46)49-17-20-8-6-5-7-9-20)30(44)36-22(10-11-27(41)47-3)29(43)38-25(13-21-16-34-18-35-21)31(45)37-23(26(40)15-33)14-28(42)48-4/h5-9,16,18-19,22-25H,10-15,17H2,1-4H3,(H,34,35)(H,36,44)(H,37,45)(H,38,43)(H,39,46)/t22-,23-,24-,25-/m0/s1 |
| Isómeros SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2 |
| Peso molecular | 690.7 |
| Reaxy-Rn | 31220911 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31220911&ln= |
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 | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Histidine and derivatives Glutamic acid and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Beta amino acids and derivatives Benzyloxycarbonyls Imidazolyl carboxylic acids and derivatives Gamma-keto acids and derivatives Fatty acid methyl esters N-acyl amines Dicarboxylic acids and derivatives Alpha-haloketones Methyl esters Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organofluorides Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hybrid peptide - Histidine or derivatives - Glutamic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Gamma-keto acid - Imidazolyl carboxylic acid derivative - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Keto acid - N-acyl-amine - Benzenoid - Azole - Methyl ester - Carbamic acid ester - Alpha-haloketone - Heteroaromatic compound - Imidazole - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - 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 |
| Solubilidad | Supplied in DMSO (10 mM) |
|---|---|
| Peso molecular | 690.700 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 23 |
| Exact Mass | 690.302 Da |
| Monoisotopic Mass | 690.302 Da |
| Topological Polar Surface Area | 224.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1140.000 |
| 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 |