1256390-53-0
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Identity
1256390-53-0
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID: 57339460
2D Structure
Properties
C42H52N8O8
Molecular Formula
796.90
Molecular Weight
g/mol
796.3908
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
193
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
1430
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1256390-53-0GSK2336805GSK-23368050JD3P48M9VGSK-805GSK-2236805RefChem:144549JNJ-56914845GSK2236805UNII-0JD3P48M9VGSK 805GSK 2236805CHEMBL3121951GSK 2336805methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Data from PubChem (NCBI)
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