≥99% 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)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCC2=CC=CC=C2)NC(=O)CN3CCOCC3 |
|---|---|
| IUPAC Name | methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate |
| InChIKey | YXDNWVZKBKEJEH-KCHLEUMXSA-N |
| INCHI | 1S/C32H44N4O6/c1-23(2)20-27(31(39)35-28(32(40)41-3)21-25-12-8-5-9-13-25)34-30(38)26(15-14-24-10-6-4-7-11-24)33-29(37)22-36-16-18-42-19-17-36/h4-13,23,26-28H,14-22H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t26-,27-,28-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN3CCOCC3 |
| PubChem CID | 57661784 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Phenylalanine and derivatives Leucine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Fatty acid esters N-acyl amines Morpholines Methyl esters Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - Phenylalanine or derivatives - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Fatty amide - Morpholine - N-acyl-amine - Monocyclic benzene moiety - Oxazinane - Benzenoid - Fatty acyl - Methyl ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
| Molecular Weight | 580.700 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 16 |
| Exact Mass | 580.326 Da |
| Monoisotopic Mass | 580.326 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 850.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
