SY110
N-[(2R)-1-[[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-3,3-difluorocyclohexane-1-carboxamide
Molecular Identity
SY110
N-[(2R)-1-[[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-3,3-difluorocyclohexane-1-carboxamide
PubChem CID: 167312484
2D Structure
Properties
C25H30F2N4O5S
Molecular Formula
536.60
Molecular Weight
g/mol
536.1905
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
155
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
812
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SY110SY-110SSD8432SIM-0417SSD-8432R4QFU2UR3KXIANNUOXIN COMPONENT SIMNOTRELVIRN-((2R)-1-(((2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl)amino)-3-methoxy-1-oxopropan-2-yl)-3,3-difluorocyclohexane-1-carboxamideN-[(2R)-1-[[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-3,3-difluorocyclohexane-1-carboxamideRefChem:931758SIM 0417SSD 8432(8S)-N-((1S)-1-cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)-7-((2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-1,4-dithia-7-azaspiro(4.4)nonane-8-carboxamideSIM0417Simnotrelvir
Data from PubChem (NCBI)
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Drug Network
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