for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1CN(C2CN(C(=O)C(N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6 |
|---|---|
| IUPAC Name | N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide |
| InChIKey | HQWTUOLCGKIECB-UHFFFAOYSA-N |
| INCHI | 1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41) |
| Peso molecular | 548.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Naphthalenes Alpha amino acids and derivatives N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Tertiary carboxylic acid amides Ureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hybrid peptide - Alpha-amino acid or derivatives - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Monocyclic benzene moiety - 1,3-diazinane - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Urea - Carbonic acid derivative - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
| External Descriptors | Not available |
| Peso molecular | 548.600 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 548.242 Da |
| Monoisotopic Mass | 548.242 Da |
| Topological Polar Surface Area | 93.200 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 930.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2H-Pyrazino[1,2-A]pyrimidine-1(6H)-carboxamide,hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-,(6R,9AR)-rel- - CAS No(20741453) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H986260.jpg)