Chem
J-GLOBAL ID：201607020213182877   Nikkaji number：J3.509.388E

RK-21252

N-メチル-N2-[4α-[4-アミノ-5-(4-フェノキシフェニル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキサン-1β-イル]-L-ロイシンアミド
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： C31H38N6O2
Molecular formula furigana： C31-H38-N6-O2
Molecular weight： 526.685
InChI： InChI=1S/C31H38N6O2/c1-20(2)17-27(31(38)33-3)36-22-11-13-23(14-12-22)37-18-26(28-29(32)34-19-35-30(28)37)21-9-15-25(16-10-21)39-24-7-5-4-6-8-24/h4-10,15-16,18-20,22-23,27,36H,11-14,17H2,1-3H3,(H,33,38)(H2,32,34,35)/t22-,23-,27-/m0/s1
InChI key： QWSTVNCCNITNGB-WCYRKSIYSA-N
SMILES： CNC(=O)[C@H](CC(C)C)N[C@H]1CC[C@@H](CC1)n1cc(c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Systematic name  (3)：
  • N-メチル-N2-[4α-[4-アミノ-5-(4-フェノキシフェニル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキサン-1β-イル]-L-ロイシンアミド
  • (2S)-N,4-ジメチル-2-{[(1r,4r)-4-[4-アミノ-5-(4-フェノキシフェニル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキシル]アミノ}ペンタンアミド
  • (2S)-N,4-dimethyl-2-{[(1r,4r)-4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino}pentanamide
Other name (2)：
  • N-Methyl-N2-[4α-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-7-yl]cyclohexane-1β-yl]-L-leucinamide
  • RK-21252
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