Chem
J-GLOBAL ID:200907083893333560
Nikkaji number:J2.471.836K
(2S)-2-[4-[2-[Heptyl(benzoxazole-2-yl)amino]ethyl]phenoxy]-2-methylbutanoic acid
(2S)-2-[4-[2-[ヘプチル(ベンゾオキサゾール-2-イル)アミノ]エチル]フェノキシ]-2-メチルブタン酸
Download MOL file
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:
C27 H36 N2 O4
Molecular formula furigana:
C27-H36-N2-O4
Molecular weight:
452.595
InChI:
InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
InChI key:
QPKIEBNVIOELIR-MHZLTWQESA-N
SMILES:
CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1
Systematic name (3):
(2S)-2-[4-[2-[ヘプチル(ベンゾオキサゾール-2-イル)アミノ]エチル]フェノキシ]-2-メチルブタン酸
(2S)-2-(4-{2-[(1,3-ベンゾオキサゾール-2-イル)(ヘプチル)アミノ]エチル}フェノキシ)-2-メチルブタン酸
(2S)-2-(4-{2-[(1,3-benzoxazol-2-yl)(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
Other name (1):
(2S)-2-[4-[2-[Heptyl(benzoxazole-2-yl)amino]ethyl]phenoxy]-2-methylbutanoic acid
Thsaurus map:
Return to Previous Page