Antibiotic LL BB 547-beta
N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide
Also Known As: Antibiotic LL BB 547-beta|LL-BB-547-B''|N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide
| Molecular Formula | C26H45N15O10 |
|---|---|
| Molecular Weight | 727.3474 g/mol |
| LogP | -9.6975 |
| Topological Polar Surface Area | 417.25 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 727.3474 |
| Monoisotopic Mass | 727.3474 |
| Heavy Atoms | 51 |
| Complexity | 1402.6787 |
Chemical Identifiers
| CAS Number | 61394-76-1 |
|---|---|
| SMILES | CNC(CCN=C(N)N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C\NC(=O)N)/NC(=O)C(NC(=O)C(NC1=O)CO)CO)C2CC(N=C(N2)N)O |
Product Overview
Antibiotic LL BB 547-beta (CAS 61394-76-1), with molecular formula C26H45N15O10 and molecular weight 727.3474 g/mol. IUPAC: N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide.
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