FRAGMENTA CYC126

pro_cas
pro_cdbregno
CCD08284124
pro_formula
C41 H46 Cl N O5 S2
pro_molWeight
732.401

basic_info

Product_Name: FRAGMENTA CYC126
EnglishSynonyms: FRAGMENTA CYC126
pro_mdlNumber: MFCD23380736
pro_acceptors: 6
pro_donors: 3
pro_smile: CC(C)(c1ccccc1CC[C@H](c2cccc(c2)C(Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)SCC6(CC6)CC(=O)O)O
InChi: InChI=1S/C41H46ClNO5S2/c1-39(2,48)33-9-4-3-6-27(33)12-15-35(49-25-40(16-17-40)23-37(44)45)29-7-5-8-30(20-29)36(50-26-41(18-19-41)24-38(46)47)22-32-14-11-28-10-13-31(42)21-34(28)43-32/h3-11,13-14,20-21,35-36,48H,12,15-19,22-26H2,1-2H3,(H,44,45)(H,46,47)/t35-,36?/m1/s1
InChiKey: InChIKey=SJNODSMYYCYZTO-RERZGLEZSA-N

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