[D-Asp3]-Microcystin-LR

Chemical Information
[D-Asp3]MC-LR is a peptide.
| CAS Number | 120011-66-7 |
| PubChem CID | 6440025 |
| IUPAC Name | (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| Molecular Formula | C48H72N10O12 |
| Molecular Weight | 981.1 |
| XLogP | 1.7 |
| Topological Polar Surface Area | 343 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1960 |
| Property | Value |
|---|---|
| Molecular Weight | 981.1 |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 15 |
| Exact Mass | 980.53311777 |
| Monoisotopic Mass | 980.53311777 |
| Topological Polar Surface Area | 343 Ų |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1960 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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