Ibrexafungerp
(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid
Molecular Identity
Ibrexafungerp
(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid
PubChem CID: 46871657
2D Structure
Properties
C44H67N5O4
Molecular Formula
730.00
Molecular Weight
g/mol
729.5193
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
1430
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ibrexafungerp1207753-03-4SCY-078MK-3118A92JFM5XNUMK-3118 FREE BASEMK3118MK 3118DTXSID901336871(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acidibrexafungerpum(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-((2R)-2-amino-2,3,3-trimethylbutoxy)-5,7,10,15-tetramethyl-7-((2R)-3-methylbutan-2-yl)-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo(13.3.3.01,14.02,11.05,10)henicos-2-ene-6-carboxylic acidRefChem:56932SCY078SCY 078
Data from PubChem (NCBI)
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