Prostate Specific Antigen Substrate

Chemical Information
| CAS Number | 380225-52-5 |
| PubChem CID | 169450750 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(morpholine-4-carbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)pentanediamide |
| Molecular Formula | C44H64N12O13 |
| Molecular Weight | 969.1 |
| XLogP | -3.3 |
| Topological Polar Surface Area | 381 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 26 |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1830 |
| Property | Value |
|---|---|
| Molecular Weight | 969.1 |
| XLogP3 | -3.3 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 26 |
| Exact Mass | 968.47158014 |
| Monoisotopic Mass | 968.47158014 |
| Topological Polar Surface Area | 381 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1830 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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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