ω-Conotoxin MVIIC

Chemical Information
isolated from Conus magus; amino acid sequence given in first source
| CAS Number | 147794-23-8 |
| PubChem CID | 56841670 |
| IUPAC Name | 2-[(1R,4S,7S,10S,13S,16S,19S,22R,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,36,39-tris(3-carbamimidamidopropyl)-27-carbamoyl-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosazatetracyclo[43.40.4.222,57.079,83]hennonacontan-19-yl]acetic acid |
| Molecular Formula | C106H178N40O32S7 |
| Molecular Weight | 2749.3 |
| XLogP | -16 |
| Topological Polar Surface Area | 1370 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 47 |
| Rotatable Bond Count | 42 |
| Heavy Atom Count | 185 |
| Formal Charge | 0 |
| Complexity | 5840 |
| Property | Value |
|---|---|
| Molecular Weight | 2749.3 |
| XLogP3 | -16 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 47 |
| Rotatable Bond Count | 42 |
| Exact Mass | 2748.1609367 |
| Monoisotopic Mass | 2747.1575819 |
| Topological Polar Surface Area | 1370 Ų |
| Heavy Atom Count | 185 |
| Formal Charge | 0 |
| Complexity | 5840 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 22 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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