MGS0274 besylate
(1S,2S,3S,5R,6S)-2-amino-3-fluoro-6-[(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyloxyethoxy]carbonylbicyclo[3.1.0]hexane-2-carboxylic acid;benzenesulfonic acid
Molecular Identity
MGS0274 besylate
(1S,2S,3S,5R,6S)-2-amino-3-fluoro-6-[(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyloxyethoxy]carbonylbicyclo[3.1.0]hexane-2-carboxylic acid;benzenesulfonic acid
PubChem CID: 117987479
2D Structure
Properties
C27H38FNO10S
Molecular Formula
587.70
Molecular Weight
g/mol
587.2200
Exact Mass
Da
188
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
884
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC(C(C1)OC(=O)OC(C)OC(=O)C2C3C2C(C(C3)F)(C(=O)O)N)C(C)C.C1=CC=C(C=C1)S(=O)(=O)OIsomeric SMILES
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)O[C@@H](C)OC(=O)[C@H]2[C@H]3[C@@H]2[C@@]([C@H](C3)F)(C(=O)O)N)C(C)C.C1=CC=C(C=C1)S(=O)(=O)OSynonyms(8)
MGS0274 besylate1501974-74-8SCHEMBL16610463KBBPYUNXSHDAMX-UDOTWNLBSA-NGLXC-24249TS-134BM178943(1S,2S,3S,5R,6S)-2-amino-3-fluoro-6-(((S)-1-(((((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)carbonyl)oxy)ethoxy)carbonyl)bicyclo[3.1.0]hexane-2-carboxylic acid benzenesulfonate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to MGS0274 besylate
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