BILN-2061 ,300832-84-2 _Chemical Cloud Database

BILN-2061

Basic Information
Product Name：	BILN-2061
CAS：	300832-84-2 ;849022-30-6
English Synonyms：	BILN-2061 ; BILN 2061ZW ; CILUPREVIR ; (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 Number.：	MFCD11978050
H bond acceptor：	14
H bond donor：	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
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