Beauveriolide III
(3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Also Known As: Beauveriolide III|Beauveriolide III;|HY-P2792|(3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone|cyclo[L-alanyl-D-alloisoleucyl-(3S,4S)-3-hydroxy-4-methyloctanoyl-L-phenylalanyl]
| Molecular Formula | C27H41N3O5 |
|---|---|
| Molecular Weight | 487.30463 g/mol |
| LogP | 2.8913 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.30463 |
| Monoisotopic Mass | 487.30463 |
| Heavy Atoms | 35 |
| Complexity | 859.6325 |
Chemical Identifiers
| CAS Number | 221111-70-2 |
|---|---|
| SMILES | CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)[C@@H](C)CC)C)CC2=CC=CC=C2 |
Product Overview
Beauveriolide III (CAS 221111-70-2), with molecular formula C27H41N3O5 and molecular weight 487.30463 g/mol. IUPAC: (3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone.
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