Μ-Conotoxin GIIIA

Chemical Information
geographutoxin I has been reported in Conus geographus with data available.
| CAS Number | 129129-65-3 |
| PubChem CID | 56843427 |
| IUPAC Name | (3S)-3-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-oxo-4-[[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-16,31,37,40-tetrakis(4-aminobutyl)-65-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-7,22-bis(3-amino-3-oxopropyl)-4,25-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo[32.28.7.719,58.010,14.043,47.049,53]hexaheptacontan-72-yl]amino]butanoic acid |
| Molecular Formula | C100H170N38O32S6 |
| Molecular Weight | 2609.1 |
| XLogP | -21.6 |
| Topological Polar Surface Area | 1340 |
| Hydrogen Bond Donor Count | 41 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 49 |
| Heavy Atom Count | 176 |
| Formal Charge | 0 |
| Complexity | 5700 |
| Property | Value |
|---|---|
| Molecular Weight | 2609.1 |
| XLogP3 | -21.6 |
| Hydrogen Bond Donor Count | 41 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 49 |
| Exact Mass | 2608.1201173 |
| Monoisotopic Mass | 2607.1167624 |
| Topological Polar Surface Area | 1340 Ų |
| Heavy Atom Count | 176 |
| Formal Charge | 0 |
| Complexity | 5700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 26 |
| 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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