≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
| Canonical Smiles | CC(C)(C)C1C(=O)N2CC(CC2C(=O)O)OC3=NC4=C(C=CC(=C4)OC)N=C3CCCCCC5CC5OC(=O)N1 |
|---|---|
| IUPAC Name | (1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylic acid |
| InChIKey | IVROMYPOGKZNLP-FDOFPDFBSA-N |
| INCHI | 1S/C29H38N4O7/c1-29(2,3)24-26(34)33-15-18(14-22(33)27(35)36)39-25-20(30-19-11-10-17(38-4)13-21(19)31-25)9-7-5-6-8-16-12-23(16)40-28(37)32-24/h10-11,13,16,18,22-24H,5-9,12,14-15H2,1-4H3,(H,32,37)(H,35,36)/t16-,18-,22+,23-,24-/m1/s1 |
| Isomeric SMILES | CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)O)OC3=NC4=C(C=CC(=C4)OC)N=C3CCCCC[C@@H]5C[C@H]5OC(=O)N1 |
| PubChem CID | 46930991 |
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 | Cyclic peptides |
| Alternative Parents | Dipeptides Macrolactams Quinoxalines Alpha amino acids and derivatives Pyrrolidine carboxylic acids Anisoles Alkyl aryl ethers Pyrazines Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Cyclic alpha peptide - Macrolactam - Alpha-amino acid or derivatives - Quinoxaline - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyrazine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Carboxylic acid - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone. |
| External Descriptors | Not available |
| Molecular Weight | 554.600 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 554.274 Da |
| Monoisotopic Mass | 554.274 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 942.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
![8H-7，10-methanocyclopropa[18，19][1，10，3，6]dioxadiazacyclononadecino[11，12-b]quinoxaline-8-carboxylic acid， 5-(1，1-dimethylethyl)-1，1a，3，4，5，6，9，10，18，19，20，21，22，22a-tetradecahydro-14-methoxy-3，6-dioxo-， (1ar，5s，8s，10r，22ar)- - ≥99% CAS No(1206524-85-7) b](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/7/H769828.jpg)