Chem
J-GLOBAL ID:201507012075375642
Nikkaji number:J3.411.146D
LY-2409021
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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:
C32 H36 F3 NO4
Molecular formula furigana:
C32-H36-F3-N-O4
Molecular weight:
555.638
InChI:
InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
InChI key:
FASLTMSUPQDLIB-MHZLTWQESA-N
SMILES:
Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(cc2)C(=O)NCCC(=O)O)cc(C)c1c1ccc(cc1)C(C)(C)C
Systematic name (3):
N-[4-[(S)-1-(2,6-ジメチル-4′-tert-ブチル-4-ビフェニリルオキシ)-4,4,4-トリフルオロブチル]ベンゾイル]-β-アラニン
3-({4-[(1S)-1-({4'-tert-ブチル-2,6-ジメチル-[1,1'-ビフェニル]-4-イル}オキシ)-4,4,4-トリフルオロブチル]フェニル}ホルムアミド)プロパン酸
3-({4-[(1S)-1-({4'-tert-butyl-2,6-dimethyl-[1,1'-biphenyl]-4-yl}oxy)-4,4,4-trifluorobutyl]phenyl}formamido)propanoic acid
Other name (4):
N-[4-[(S)-1-(2,6-Dimethyl-4′-tert-butyl-4-biphenylyloxy)-4,4,4-trifluorobutyl]benzoyl]-β-alanine
LY-2409021
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Adomeglivant
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