≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Canonical Smiles | CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid |
| InChIKey | IPICFSFUAKDZEI-UHFFFAOYSA-N |
| INCHI | 1S/C21H36N2O9/c1-10(2)14(30-19(28)13(6)23-20(29)32-21(7,8)9)16(24)22-12(5)18(27)31-15(11(3)4)17(25)26/h10-15H,1-9H3,(H,22,24)(H,23,29)(H,25,26) |
| Isomeric SMILES | CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C |
| Molecular Weight | 460.52 |
| Reaxy-Rn | 15025672 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15025672&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 |
| Class | Peptidomimetics |
| Subclass | Depsipeptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsipeptides |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alanine and derivatives Tricarboxylic acids and derivatives N-acyl amines Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Depsipeptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 46.05, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 46.05, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 460.500 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 460.242 Da |
| Monoisotopic Mass | 460.242 Da |
| Topological Polar Surface Area | 157.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 698.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
