Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A competitive inhibitor of aminopeptidases, especially aminopeptidase B, leucine aminopeptidase and tripeptide aminopeptidase. Not an inhibitor of carboxypeptidases.
| Canonical Smiles | CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O |
|---|---|
| IUPAC Name | (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid |
| InChIKey | VGGGPCQERPFHOB-RDBSUJKOSA-N |
| INCHI | 1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O |
| WGK Germany | 3 |
| RTECS | OH2915000 |
| Molecular Weight | 308.37 |
| Reaxy-Rn | 3036818 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3036818&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 | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Leucine and derivatives N-acyl-L-alpha-amino acids Beta amino acids and derivatives Amphetamines and derivatives Aralkylamines N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hybrid peptide - Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Fatty acyl - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Alcohol - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | 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 |
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| Specific Rotation[α] | -19° (C=1,1mol/L HCl) |
|---|---|
| Melt Point(°C) | >200 °C |
| Molecular Weight | 308.370 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 308.174 Da |
| Monoisotopic Mass | 308.174 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| 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 |
| 1. Yinghua Liu, Jianfeng Zeng, Qing Li, Minqian Miao, Zhuorun Song, Min Zhao, Qingqing Miao, Mingyuan Gao. (2022) An APN-Activated Chemiluminescent Probe for Image-Guided Surgery of Malignant Tumors. Advanced Optical Materials, 10 (14): (2102709). [PMID:] [10.1002/adom.202102709] |
| 2. Xiao-lin Hou, Xiang Dai, Jie Yang, Bin Zhang, Dong-hui Zhao, Chao-qing Li, Zhong-yuan Yin, Yuan-di Zhao, Bo Liu. (2020) Injectable polypeptide-engineered hydrogel depot for amplifying the anti-tumor immune effect induced by chemo-photothermal therapy. Journal of Materials Chemistry B, 8 (37): (8623-8633). [PMID:32821893] [10.1039/D0TB01370F] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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