≥96%(HPLC) 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 | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
|---|---|
| IUPAC Name | (2S)-4-[bis(4-methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid |
| InChIKey | NUINEVHFMAGARJ-PMERELPUSA-N |
| INCHI | 1S/C34H32N2O7/c1-41-23-15-11-21(12-16-23)32(22-13-17-24(42-2)18-14-22)36-31(37)19-30(33(38)39)35-34(40)43-20-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18,29-30,32H,19-20H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)/t30-/m0/s1 |
| Isomeric SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
| PubChem CID | 14187535 |
| Molecular Weight | 580.62 |
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 | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Asparagine and derivatives |
| Alternative Parents | Fluorenes Diphenylmethanes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers N-acyl amines Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Asparagine or derivatives - Diphenylmethane - Fluorene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 580.600 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 580.221 Da |
| Monoisotopic Mass | 580.221 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 884.000 |
| 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 |
