Octapeptin
3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide
Also Known As: Antibiotic EM49|Octapeptin antibiotics|Octapeptin|FA-252-C|3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide
| Molecular Formula | C49H93N13O10 |
|---|---|
| Molecular Weight | 1023.71686 g/mol |
| LogP | -1.7243 |
| Topological Polar Surface Area | 386.21 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Exact Mass | 1023.71686 |
| Monoisotopic Mass | 1023.71686 |
| Heavy Atoms | 72 |
| Complexity | 1720.1537 |
Chemical Identifiers
| CAS Number | 39342-08-0 |
|---|---|
| SMILES | CCC(C)CCCCC(CC(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)CCN)CC(C)C)CC(C)C)CCN)CCN)CC(C)C)O |
Product Overview
Octapeptin (CAS 39342-08-0), with molecular formula C49H93N13O10 and molecular weight 1023.71686 g/mol. IUPAC: 3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide.