Bremelanotide (Acetate)

Chemical Information
See also: Bremelanotide (has active moiety).
| CAS Number | 1607799-13-2 |
| PubChem CID | 91971505 |
| IUPAC Name | (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid;acetic acid |
| Molecular Formula | C52H72N14O12 |
| Molecular Weight | 1085.2 |
| Topological Polar Surface Area | 416 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 78 |
| Formal Charge | 0 |
| Complexity | 1980 |
| Property | Value |
|---|---|
| Molecular Weight | 1085.2 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 17 |
| Exact Mass | 1084.54541379 |
| Monoisotopic Mass | 1084.54541379 |
| Topological Polar Surface Area | 416 Ų |
| Heavy Atom Count | 78 |
| Formal Charge | 0 |
| Complexity | 1980 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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