JB-1

Chemical Information
an insulin-like growth factor 1(IGF-I) analog; inhibits autophosphorylation of IGF-I receptor
| CAS Number | 147819-32-7 |
| PubChem CID | 5491959 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(7-hydroxy-3,8-dithiatricyclo[5.1.0.02,4]oct-5-en-4-yl)propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxopropanoyl]amino]propanoic acid |
| Molecular Formula | C55H88N14O15S2 |
| Molecular Weight | 1249.5 |
| XLogP | -4.7 |
| Topological Polar Surface Area | 506 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 34 |
| Heavy Atom Count | 86 |
| Formal Charge | 0 |
| Complexity | 2580 |
| Property | Value |
|---|---|
| Molecular Weight | 1249.5 |
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 34 |
| Exact Mass | 1248.59950050 |
| Monoisotopic Mass | 1248.59950050 |
| Topological Polar Surface Area | 506 Ų |
| Heavy Atom Count | 86 |
| Formal Charge | 0 |
| Complexity | 2580 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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