β-Amyloid (1-40) (rat)

Chemical Information
| CAS Number | 144409-98-3 |
| PubChem CID | 131954565 |
| IUPAC Name | 5-[[1-[[2-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[[1-[[5-amino-1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[[6-amino-1-[[2-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[[2-[[1-[(1-carboxy-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid |
| Molecular Formula | C190H291N51O57S |
| Molecular Weight | 4234 |
| XLogP | -12.9 |
| Topological Polar Surface Area | 1750 |
| Hydrogen Bond Donor Count | 58 |
| Hydrogen Bond Acceptor Count | 64 |
| Rotatable Bond Count | 143 |
| Heavy Atom Count | 299 |
| Formal Charge | 0 |
| Complexity | 10300 |
| Property | Value |
|---|---|
| Molecular Weight | 4234 |
| XLogP3 | -12.9 |
| Hydrogen Bond Donor Count | 58 |
| Hydrogen Bond Acceptor Count | 64 |
| Rotatable Bond Count | 143 |
| Exact Mass | 4233.1227726 |
| Monoisotopic Mass | 4231.1160630 |
| Topological Polar Surface Area | 1750 Ų |
| Heavy Atom Count | 299 |
| Formal Charge | 0 |
| Complexity | 10300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 35 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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