1.0 2026-09-21 18:25:18 UTC 2026-09-21 18:25:18 UTC FDB116894 Beauvericin (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone C45H57N3O9 783.9488 783.409480437 (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tris(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone beauvericin CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(C)C)C(C)C InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1 GYSCAQFHASJXRS-FFCOJMSVSA-N belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Cyclic depsipeptides Organic compounds Organic acids and derivatives Peptidomimetics Depsipeptides Aromatic heteromonocyclic compounds Alpha amino acid esters Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactams Lactones Macrolactams Macrolide lactams Macrolides and analogues Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Tertiary carboxylic acid amides Tricarboxylic acids and derivatives Alpha-amino acid ester Alpha-amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic depsipeptide Hydrocarbon derivative Lactam Lactone Macrolactam Macrolide Macrolide lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Tertiary carboxylic acid amide Tricarboxylic acid or derivatives cyclodepsipeptide logp 5.25 ALOGPS logs -5.95 ALOGPS solubility 8.79e-04 g/l ALOGPS logp 7.27 ChemAxon pka_strongest_acidic 18.8 ChemAxon pka_strongest_basic -6 ChemAxon iupac (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tris(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone ChemAxon average_mass 783.9488 ChemAxon mono_mass 783.409480437 ChemAxon smiles CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(C)C)C(C)C ChemAxon formula C45H57N3O9 ChemAxon inchi InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1 ChemAxon inchikey GYSCAQFHASJXRS-FFCOJMSVSA-N ChemAxon polar_surface_area 139.83 ChemAxon refractivity 213.47 ChemAxon polarizability 83.04 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78147 Specdb::MsMs 78148 Specdb::MsMs 78149 Specdb::MsMs 138417 Specdb::MsMs 138418 Specdb::MsMs 138419