Vasonatrin Peptide (VNP)

Chemical Information
| CAS Number | 141676-35-9 |
| PubChem CID | 145707510 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-10,37,43-tris(2-methylpropyl)-19-(2-methylsulfanylethyl)-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-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid;2,2,2-trifluoroacetic acid |
| Molecular Formula | C126H199F3N36O38S3 |
| Molecular Weight | 2979.3 |
| Topological Polar Surface Area | 1290 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 49 |
| Rotatable Bond Count | 66 |
| Heavy Atom Count | 206 |
| Formal Charge | 0 |
| Complexity | 6310 |
| Property | Value |
|---|---|
| Molecular Weight | 2979.3 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 49 |
| Rotatable Bond Count | 66 |
| Exact Mass | 2978.3893789 |
| Monoisotopic Mass | 2977.3860240 |
| Topological Polar Surface Area | 1290 Ų |
| Heavy Atom Count | 206 |
| Formal Charge | 0 |
| Complexity | 6310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 21 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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