3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID

CAS号
872171-26-1
CCD编号
CCD03258680
分子式
C26H26N4O3
分子量
442.516

基本信息

产品名称: 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID
CAS: 872171-26-1
英文同义词: BENZENEPROPANOIC ACID, 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]- ; 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID
MDL号: MFCD16878701
氢键受体数量: 7
氢键供体数量: 2
Smile: CC(C)(C)C1=NN(C(=C1)NC(=O)C=1N=CC2=CC=CC=C2C1)C=1C=C(C=CC1)CCC(=O)O
InChi: InChI=1S/C26H26N4O3/c1-26(2,3)22-15-23(28-25(33)21-14-18-8-4-5-9-19(18)16-27-21)30(29-22)20-10-6-7-17(13-20)11-12-24(31)32/h4-10,13-16H,11-12H2,1-3H3,(H,28,33)(H,31,32)
InChiKey: InChIKey=LWRFKKBIYPTNPQ-UHFFFAOYSA-N

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