Atriopeptin II (rat, mouse)

Chemical Information
| CAS Number | 89139-54-8 |
| PubChem CID | 16132367 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid |
| Molecular Formula | C98H156N34O32S2 |
| Molecular Weight | 2386.6 |
| XLogP | -12.8 |
| Topological Polar Surface Area | 1140 |
| Hydrogen Bond Donor Count | 40 |
| Hydrogen Bond Acceptor Count | 38 |
| Rotatable Bond Count | 49 |
| Heavy Atom Count | 166 |
| Formal Charge | 0 |
| Complexity | 5220 |
| Property | Value |
|---|---|
| Molecular Weight | 2386.6 |
| XLogP3 | -12.8 |
| Hydrogen Bond Donor Count | 40 |
| Hydrogen Bond Acceptor Count | 38 |
| Rotatable Bond Count | 49 |
| Exact Mass | 2386.1099861 |
| Monoisotopic Mass | 2385.1066313 |
| Topological Polar Surface Area | 1140 Ų |
| Heavy Atom Count | 166 |
| Formal Charge | 0 |
| Complexity | 5220 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 20 |
| 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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