Chem
J-GLOBAL ID:201507044638531849
Nikkaji number:J3.348.886F
SB-423562
3-{4-シアノ-3-[(2S)-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]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:
C26 H32 N2 O4
Molecular formula furigana:
C26-H32-N2-O4
Molecular weight:
436.552
InChI:
InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1
InChI key:
NJBFJCJKWWIKRD-QHCPKHFHSA-N
SMILES:
CC(C)(CC1Cc2ccccc2C1)NC[C@H](O)COc1cc(CCC(=O)O)ccc1C#N
Systematic name (3):
3-[3-[[(2S)-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-シアノフェニル]プロパン酸
3-{4-シアノ-3-[(2S)-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]フェニル}プロパン酸
3-{4-cyano-3-[(2S)-3-{[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]phenyl}propanoic acid
Other name (2):
3-[3-[[(2S)-3-[[2-(2,3-Dihydro-1H-indene-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropyl]oxy]-4-cyanophenyl]propanoic acid
SB-423562
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