Mambalgin 1

Chemical Information
| CAS Number | 1609937-15-6 |
| PubChem CID | 121513904 |
| IUPAC Name | 6-amino-2-[[4-amino-2-[[19-[[28-[[2-[[2-[[2-[[90-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-40,75,99-tris(4-aminobutyl)-10,34-bis(2-amino-2-oxoethyl)-52,84-bis(3-amino-3-oxopropyl)-28,96-dibenzyl-46-butan-2-yl-8a,31-bis(3-carbamimidamidopropyl)-5a-(carboxymethyl)-13,66-bis(1-hydroxyethyl)-4,87-bis[(4-hydroxyphenyl)methyl]-7,11a,81-tris(1H-imidazol-4-ylmethyl)-37,43,49-tris(2-methylpropyl)-2a,19-bis(2-methylsulfanylethyl)-1a,2,4a,5,7a,8,10a,11,13a,14,17,20,26,29,32,35,38,41,44,47,50,53,56,65,68,71,74,77,80,83,86,89,95,98-tetratriacontaoxo-69,72-di(propan-2-yl)-60,61,92-trithia-a,3,3a,6,6a,9,9a,12,12a,15,18,21,27,30,33,36,39,42,45,48,51,54,57,64,67,70,73,76,79,82,85,88,94,97-tetratriacontazatricyclo[61.30.20.021,25]tridecahectane-58-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-7-(4-aminobutyl)-10,13-bis(2-amino-2-oxoethyl)-16,22-bis(2-carboxyethyl)-19-(1-hydroxyethyl)-25-(hydroxymethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-7-(3-carbamimidamidopropyl)-10-(carboxymethyl)-13-(1-hydroxyethyl)-16-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-oxobutanoyl]amino]hexanoic acid |
| Molecular Formula | C272H429N85O84S9 |
| Molecular Weight | 6522 |
| XLogP | -34 |
| Topological Polar Surface Area | 3010 |
| Hydrogen Bond Donor Count | 97 |
| Hydrogen Bond Acceptor Count | 106 |
| Rotatable Bond Count | 165 |
| Heavy Atom Count | 450 |
| Formal Charge | 0 |
| Complexity | 16500 |
| Property | Value |
|---|---|
| Molecular Weight | 6522 |
| XLogP3 | -34 |
| Hydrogen Bond Donor Count | 97 |
| Hydrogen Bond Acceptor Count | 106 |
| Rotatable Bond Count | 165 |
| Exact Mass | 6519.9464073 |
| Monoisotopic Mass | 6517.9396976 |
| Topological Polar Surface Area | 3010 Ų |
| Heavy Atom Count | 450 |
| Formal Charge | 0 |
| Complexity | 16500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 59 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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