BERNINAMYCIN A

pro_cas
58798-97-3
pro_cdbregno
CCD02307361
pro_formula
C51 H51 N15 O15 S
pro_molWeight
1146.12

basic_info

Product_Name: BERNINAMYCIN A
CAS: 58798-97-3
EnglishSynonyms: BERNINAMYCIN A
pro_mdlNumber: MFCD14635430
pro_acceptors: 30
pro_donors: 12
pro_smile: C/C=C\1/c2nc(c(o2)C)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)c3nc(c(o3)C)C(=O)NC(=C)C(=O)NC(=C)c4nc(co4)-c5c(ccc(n5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)-c6nc(cs6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O
InChi: InChI=1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-
InChiKey: InChIKey=CAFFHXXVDGAVPH-QDTIIGTASA-N

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