≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | -2.965 |
|---|---|
| HBD Count | 4 |
| Rotatable Bond | 12 |
| Canonical Smiles | CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)C3(C2)CC4=CC=CC=C4)C)N |
|---|---|
| IUPAC Name | N-[(2R)-1-[(3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide |
| InChIKey | KVLLHLWBPNCVNR-SKCUWOTOSA-N |
| INCHI | 1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1 |
| Isomeric SMILES | CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)[C@@]3(C2)CC4=CC=CC=C4)C)N |
| PubChem CID | 216208 |
| Molecular Weight | 655.7 |
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 | Dipeptides |
| Alternative Parents | 3-benzylpiperidines N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-acylpiperidines Benzylethers Pyrazolones Tertiary carboxylic acid amides Secondary carboxylic acid amides N-alkylated hydrazones Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Benzylpiperidine - 3-benzylpiperidine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzylether - N-acyl-piperidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyrazolinone - Pyrazoline - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - N-alkylated hydrazone - Secondary carboxylic acid amide - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 152.508769254232 |
| Water(mg / mL) Max Solubility | 100 |
| Water(mM) Max Solubility | 152.508769254232 |
| Molecular Weight | 505.600 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 505.269 Da |
| Monoisotopic Mass | 505.269 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 878.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
