Virginiamycin S3
N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
Also Known As: Virginiamycin S3|Staphylomycin S3|Virginiamycin S1, 5-(5-hydroxy-4-oxo-L-2-piperidinecarboxylic acid)-|N-(22-Benzyl-6-ethyl-18-hydroxy-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl)-3-hydroxy-2-pyridinecarbo #
| Molecular Formula | C43H49N7O11 |
|---|---|
| Molecular Weight | 839.349 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 839.349 |
| Monoisotopic Mass | 839.349 |
| Heavy Atoms | 61 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 33477-39-3 |
|---|---|
| SMILES | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)O)CC6=CC=CC=C6)C |
| InChIKey | AVCLYXFQZNDKMW-UHFFFAOYSA-N |
Product Overview
Virginiamycin S3 (CAS 33477-39-3), with molecular formula C43H49N7O11 and molecular weight 839.349 g/mol. IUPAC: N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide.
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