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 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)N |
|---|---|
| IUPAC Name | (3S)-3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid |
| InChIKey | SAGYNNXCQOFQHW-VGWMRTNUSA-N |
| INCHI | 1S/C22H33N7O8/c23-13(7-4-8-26-22(24)25)18(33)27-14(9-12-5-2-1-3-6-12)19(34)28-15(10-17(31)32)20(35)29-16(11-30)21(36)37/h1-3,5-6,13-16,30H,4,7-11,23H2,(H,27,33)(H,28,34)(H,29,35)(H,31,32)(H,36,37)(H4,24,25,26)/t13-,14-,15-,16-/m0/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N |
| WGK Alemania | 3 |
| PubChem CID | 10346696 |
| Peso molecular | 523.54 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Phenylalanine and derivatives Aspartic acid and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Amphetamines and derivatives Beta hydroxy acids and derivatives N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-oligopeptide - Phenylalanine or derivatives - Aspartic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Hydroxy acid - N-acyl-amine - Fatty acyl - Benzenoid - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Primary alcohol - Primary amine - Organic oxide - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Peso molecular | 523.500 g/mol |
|---|---|
| XLogP3 | -5.300 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 16 |
| Exact Mass | 523.239 Da |
| Monoisotopic Mass | 523.239 Da |
| Topological Polar Surface Area | 273.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 828.000 |
| 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 |
| 1. Xi-Tian Peng, Bi-Feng Yuan, Yu-Qi Feng. (2011) Grafting of silica with a hydrophilic triol acrylamide polymer via surface-initiated “grafting from” method for hydrophilic-interaction chromatography. JOURNAL OF SEPARATION SCIENCE, 34 (22): (3123-3130). [PMID:21998034] [10.1002/jssc.201100570] |