Lasiodine A
[(1S,2R)-2-[[2-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-3-phenylpropanoyl]amino]-3-methylbut-2-enoyl]amino]-3-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-3-oxo-1-phenylpropyl] (2S)-3-methyl-2-(methylamino)butanoate
Also Known As: Lasiodine A|Lasiodin A|Lasiodin-A|[(1S,2R)-2-[[2-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-3-phenylpropanoyl]amino]-3-methylbut-2-enoyl]amino]-3-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-3-oxo-1-phenylpropyl] (2S)-3-methyl-2-(methylamino)butanoate|[(1S,2R)-2-[[2-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-3-phenyl-propanoyl]amino]-3-methyl-but-2-enoyl]amino]-3-[[(Z)-2-(4-hydroxyphenyl)vinyl]amino]-3-oxo-1-phenyl-propyl] (2S)-3-methyl-2-(methylamino)butanoate|((1S,2R)-2-((2-(((2R,3S)-2-(dimethylamino)-3-hydroxy-3-phenyl-propanoyl)amino)-3-methyl-but-2-enoyl)amino)-3-(((Z)-2-(4-hydroxyphenyl)vinyl)amino)-3-oxo-1-phenyl-propyl) (2S)-3-methyl-2-(methylamino)butanoate|(1S,2R)-2-(2-{[(betaS)-beta-Hydroxy-N,N-dimethyl-D-phenylalanyl]amino}-3-methylbut-2-enamido)-3-{[(Z)-2-(4-hydroxyphenyl)ethen-1-yl]amino}-3-oxo-1-phenylpropyl N-methyl-L-valinate
| Molecular Formula | C39H49N5O7 |
|---|---|
| Molecular Weight | 699.3632 g/mol |
| LogP | 3.5663 |
| Topological Polar Surface Area | 169.33 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 699.3632 |
| Monoisotopic Mass | 699.3632 |
| Heavy Atoms | 51 |
| Complexity | 1670.9529 |
Chemical Identifiers
| CAS Number | 22326-90-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O[C@@H](C1=CC=CC=C1)[C@H](C(=O)N/C=C\C2=CC=C(C=C2)O)NC(=O)C(=C(C)C)NC(=O)[C@@H]([C@H](C3=CC=CC=C3)O)N(C)C)NC |
Product Overview
Lasiodine A (CAS 22326-90-5), with molecular formula C39H49N5O7 and molecular weight 699.3632 g/mol. IUPAC: [(1S,2R)-2-[[2-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-3-phenylpropanoyl]amino]-3-methylbut-2-enoyl]amino]-3-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-3-oxo-1-phenylpropyl] (2S)-3-methyl-2-(methylamino)butanoate.