Beauveriolide III structure

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]

CAS: 221111-70-2
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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