Cyclic somatostatin 25mg

Chemical Information
Somatostatin is a fourteen-membered heterodetic cyclic peptide comprising the sequence Ala-Gly-Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys cyclised by a disulfide bridge between the two Cys residues at positions 3 and 14. It is a heterodetic cyclic peptide and a peptide hormone.
| CAS Number | 38916-34-6 |
| PubChem CID | 16129706 |
| IUPAC Name | (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid |
| Molecular Formula | C76H104N18O19S2 |
| Molecular Weight | 1637.9 |
| XLogP | -3.1 |
| Topological Polar Surface Area | 664 |
| Hydrogen Bond Donor Count | 22 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 26 |
| Heavy Atom Count | 115 |
| Formal Charge | 0 |
| Complexity | 3240 |
| Property | Value |
|---|---|
| Molecular Weight | 1637.9 |
| XLogP3 | -3.1 |
| Hydrogen Bond Donor Count | 22 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 26 |
| Exact Mass | 1636.71665551 |
| Monoisotopic Mass | 1636.71665551 |
| Topological Polar Surface Area | 664 Ų |
| Heavy Atom Count | 115 |
| Formal Charge | 0 |
| Complexity | 3240 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| 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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