for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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)NCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
|---|---|
| IUPAC Name | 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]acetic acid |
| InChIKey | RWMPPRIMKZLKTB-FQEVSTJZSA-N |
| INCHI | 1S/C22H24N2O5/c1-13(2)20(21(27)23-11-19(25)26)24-22(28)29-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t20-/m0/s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| WGK Germany | 3 |
| Molecular Weight | 396.44 |
| Reaxy-Rn | 42470373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42470373&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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Valine and derivatives N-acyl-alpha amino acids Fluorenes Alpha amino acid amides N-acyl amines Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Alpha-dipeptide - N-acyl-alpha-amino acid - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Fluorene - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-amine - Fatty acyl - Fatty amide - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic 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 |
| Molecular Weight | 396.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 396.169 Da |
| Monoisotopic Mass | 396.169 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 586.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
