Chem
J-GLOBAL ID:201407033363600404
Nikkaji number:J3.319.177D
3-[3-[[(2R)-3-[[2-(2,3-Dihydro-1H-indene-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropyl]oxy]-4,5-difluorophenyl]propionic acid
3-{3-[(2R)-3-{[1-(2,3-ジヒドロ-1H-インデン-2-イル)-2-メチルプロパン-2-イル]アミノ}-2-ヒドロキシプロポキシ]-4,5-ジフルオロフェニル}プロパン酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H31 F2 NO4
Molecular formula furigana:
C25-H31-F2-N-O4
Molecular weight:
447.523
InChI:
InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
InChI key:
FQJISUPNMFRIFZ-HXUWFJFHSA-N
SMILES:
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F
Systematic name (3):
3-[3-[[(2R)-3-[[2-(2,3-ジヒドロ-1H-インデン-2-イル)-1,1-ジメチルエチル]アミノ]-2-ヒドロキシプロピル]オキシ]-4,5-ジフルオロフェニル]プロピオン酸
3-{3-[(2R)-3-{[1-(2,3-ジヒドロ-1H-インデン-2-イル)-2-メチルプロパン-2-イル]アミノ}-2-ヒドロキシプロポキシ]-4,5-ジフルオロフェニル}プロパン酸
3-{3-[(2R)-3-{[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acid
Other name (1):
3-[3-[[(2R)-3-[[2-(2,3-Dihydro-1H-indene-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropyl]oxy]-4,5-difluorophenyl]propionic acid
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