≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488196230 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196230 |
| Canonical Smiles | C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CN |
| IUPAC Name | (2S)-2-[(2-aminoacetyl)amino]-N-(4-nitrophenyl)-3-phenylpropanamide |
| InChIKey | KNDZCZRECXTRHP-HNNXBMFYSA-N |
| INCHI | 1S/C17H18N4O4/c18-11-16(22)20-15(10-12-4-2-1-3-5-12)17(23)19-13-6-8-14(9-7-13)21(24)25/h1-9,15H,10-11,18H2,(H,19,23)(H,20,22)/t15-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CN |
| Molecular Weight | 342.35 |
| Reaxy-Rn | 25981590 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25981590&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 | Not available |
| Direct Parent | Peptides |
| Alternative Parents | Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha peptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Amine - Primary aliphatic amine - Organic salt - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2318725 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318763 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318770 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318773 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318792 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318818 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318822 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318843 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318845 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| D2318855 | Certificate of Analysis | Feb 04, 2026 | G355809 |
| Solubility | DMF: 50 mg/mL, clear, yellow |
|---|---|
| Melt Point(°C) | 177-187° C |
| Molecular Weight | 342.350 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 342.133 Da |
| Monoisotopic Mass | 342.133 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| 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 |
