A 790742

pro_cas
854755-48-9
pro_cdbregno
CCD04458731
pro_formula
C49 H65 N7 O7
pro_molWeight
864.094

basic_info

Product_Name: A 790742
CAS: 854755-48-9
EnglishSynonyms: A 790742
pro_mdlNumber: MFCD18782616
pro_acceptors: 14
pro_donors: 5
pro_smile: CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4CCN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC
InChi: InChI=1S/C49H65N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-25,36,38-39,41-42,57,62H,26-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38-,39-,41+,42+/m0/s1
InChiKey: InChIKey=NMNZCBCNNBOZGJ-LJWQRQTBSA-N

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