3-(6-NITRO-1H-BENZOIMIDAZOL-2-YLSULFANYLMETHYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CAS号
CCD编号
CCD06172418
分子式
C17 H22 N4 O4 S
分子量
378.451

基本信息

产品名称: 3-(6-NITRO-1H-BENZOIMIDAZOL-2-YLSULFANYLMETHYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
英文同义词: 3-(6-NITRO-1H-BENZOIMIDAZOL-2-YLSULFANYLMETHYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MDL号: MFCD21099329
氢键受体数量: 8
氢键供体数量: 1
Smile: CC(C)(C)OC(=O)N1CCC(C1)CSc2[nH]c3cc(ccc3n2)[N+](=O)[O-]
InChi: InChI=1S/C17H22N4O4S/c1-17(2,3)25-16(22)20-7-6-11(9-20)10-26-15-18-13-5-4-12(21(23)24)8-14(13)19-15/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChiKey: InChIKey=KJBHUNSTKFLKNG-UHFFFAOYSA-N

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