Name: Firsocostat S enantiomer
Rating: 5 (10 reviews)

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HIT ID:HIT212666237
Cas No:2128714-16-7
常用名:Firsocostat S enantiomer
别名:NDI-010976 S enantiomer, ND-630 S enantiomer, GS-0976 S enantiomer
别名:NDI-010976 S enantiomer, ND-630 S enantiomer, GS-0976 S enantiomer
IUPAC:2-{1-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl}-2-methylpropanoic acid
IUPAC:2-{1-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl}-2-methylpropanoic acid
InChI key:ZZWWXIBKLBMSCS-HXUWFJFHSA-N

分子式:C28H31N3O8S
分子量:569.63
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:3.2782097
SMILES:COc1ccccc1[C@@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1
SMILES:COc1ccccc1[C@@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1

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