3-[[2-[[(4-CARBAMIMIDOYLPHENYL)AMINO]METHYL]-1-METHYL-BENZOIMIDAZOLE-5-CARBONYL]-PYRIDIN-2-YL-AMINO]PROPANOIC ACID

CAS号
CCD编号
CCD00821183
分子式
C25 H25 N7 O3
分子量
471.518

基本信息

产品名称: 3-[[2-[[(4-CARBAMIMIDOYLPHENYL)AMINO]METHYL]-1-METHYL-BENZOIMIDAZOLE-5-CARBONYL]-PYRIDIN-2-YL-AMINO]PROPANOIC ACID
英文同义词: BETA-ALANINE, N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL- ; 3-[[2-[[(4-CARBAMIMIDOYLPHENYL)AMINO]METHYL]-1-METHYL-BENZOIMIDAZOLE-5-CARBONYL]-PYRIDIN-2-YL-AMINO]PROPANOIC ACID ; N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDIBETA-ALANINE
MDL号: MFCD09837830
氢键受体数量: 10
氢键供体数量: 4
Smile: Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4
InChi: InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChiKey: InChIKey=YBSJFWOBGCMAKL-UHFFFAOYSA-N

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