L-803,087 trifluoroacetate

Chemical Information
structure in first source
| CAS Number | 217480-26-7 |
| PubChem CID | 5311374 |
| IUPAC Name | methyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate |
| Molecular Formula | C25H29F2N5O3 |
| Molecular Weight | 485.5 |
| XLogP | 2.9 |
| Topological Polar Surface Area | 136 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 730 |
| Property | Value |
|---|---|
| Molecular Weight | 485.5 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 485.22384613 |
| Monoisotopic Mass | 485.22384613 |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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