≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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.
| Sorrisi canonici | CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.C(=CC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide;(E)-but-2-enedioic acid |
| InChIKey | YQDJPWXYLLPOPW-LWTUVRFUSA-N |
| INCHI | 1S/2C32H40N4O3.C4H4O4/c2*1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23;5-3(6)1-2-4(7)8/h2*6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38);1-2H,(H,5,6)(H,7,8)/b2*16-11+;2-1+/t2*27-,28-;/m11./s1 |
| Isomeri SMILES | CC(N)(C/C=C/C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NC)CC1=CC=CC=C1)C)CC2=CC3=CC=CC=C3C=C2)C)C.CC(N)(C/C=C/C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NC)CC1=CC=CC=C1)C)CC2=CC3=CC=CC=C3C=C2)C)C.C(=C/C(=O)O)\C(=O)O |
| PubChem CID | 11981159 |
| Peso molecolare | 586.73 |
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 |
| Classe | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Phenylalanine and derivatives Naphthalenes Amphetamines and derivatives Unsaturated fatty acids N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Alpha-dipeptide - Phenylalanine or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Descrizione | 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 |
| Solubilità | Solvent:water, Max Conc. mg/mL: 5.29, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 58.67, Max Conc. mM: 100 |
|---|---|
| Peso molecolare | 1173.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 24 |
| Exact Mass | 1172.63 Da |
| Monoisotopic Mass | 1172.63 Da |
| Topological Polar Surface Area | 266.000 Ų |
| Heavy Atom Count | 86 |
| Formal Charge | 0 |
| Complexity | 969.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 3 |
| Covalently-Bonded Unit Count | 3 |
