ILS-920
(1R,2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.16,10.013,18]octatriaconta-2,25-diene-11,12,19,23,29-pentone
Molecular Identity
ILS-920
(1R,2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.16,10.013,18]octatriaconta-2,25-diene-11,12,19,23,29-pentone
PubChem CID: 58974612
2D Structure
Properties
C57H86N2O14
Molecular Formula
1023.30
Molecular Weight
g/mol
1022.6079
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
208
TPSA
May have limited oral absorption
3
H-Bond Donors
15
H-Bond Acceptors
1940
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
ILS-920UNII-F2D5P81X82892494-07-4ILS 920F2D5P81X82WAY-26592023,27-Epoxy-15,18-ethenopyrido(2,1-R)(1,16,2,19)dioxadiazacyclohentriacontine-1,5,11,28,29(6H,12H,31H)-pentone, 3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34a-eicosahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34a-Eicosahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-16-phenyl-23,27-epoxy-15,18-ethenopyrido(2,1-R)(1,16,23,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHYL)-10,21-DIMETHOXY-6,8,12,14,20,26-HEXAMETHYL-16-PHENYL-23,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)DIOXADIAZACYCLOHENTRIACONTINE-1,5,11,28,29(6H,12H,31H)-PENTONERefChem:14789923,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)DIOXADIAZACYCLOHENTRIACONTINE-1,5,11,28,29(6H,12H,31H)-PENTONE, 3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHYL)-10,21-DIMETHOXY-6,8,12,14,20,26-HEXAMETHYL-16-PHENYL-,(3S,6R,7E,9R,10R,12R,14S,15S,18R,19E,21S,23S,26R,27R,34AS)-(3S,6R,7E,9R,10R,12R,14S,15S,18R,19E,21S,23S,26R,27R,34AS)-(1R,2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.16,10.013,18]octatriaconta-2,25-diene-11,12,19,23,29-pentoneorb1707926HY-106345CS-0025622
Data from PubChem (NCBI)
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