西鲁瑞韦

CAS号
849022-30-6 ;300832-84-2
CCD编号
CCD01393128
分子式
C40 H50 N6 O8 S
分子量
774.935

基本信息

产品名称: 西鲁瑞韦
CAS: 849022-30-6 ;300832-84-2
中文同义词: (2R,6S,12Z,13aS,14aR,16aS)-6-[[(环戊氧基)羰基]氨基]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-十四氢-2-[[7-甲氧基-8-甲基-2-[2-[(1-甲基乙基)氨基]-4-噻唑基]-4-喹啉基]氧基]-5,16-二氧代环丙并[e]吡咯并[1,2-a][1,4]二氮杂环十五烯-14a(5H)-羧酸 ; 西鲁瑞韦
英文同义词: BILN-2061 ; CILUPREVIR ; BILN 2061ZW ; (2R,6S,12Z,13AS,14AR,16AS)-6-[[(CYCLOPENTYLOXY)CARBONYL]AMINO]-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-2-[[7-METHOXY-8-METHYL-2-[2-[(1-METHYLETHYL)AMINO]-4-THIAZOLYL]-4-QUINOLINYL]OXY]-5,16-DIOXOCYCLOPROPA[E]PYRROLO-[1,2-A]-[1,4]-DIAZACYCLOPENTADECINE-14-A(5H)-CARBOXYLIC ACID
MDL号: MFCD11978050
氢键受体数量: 14
氢键供体数量: 4
Smile: CC(C)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O
InChi: InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
InChiKey: InChIKey=PJZPDFUUXKKDNB-KNINVFKUSA-N

性质

安全信息

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