ABBLIS AB1009641

pro_cas
pro_cdbregno
CCD06005633
pro_formula
C51 H66 N2 O12 . 2 C2 H2 O4
pro_molWeight
1079.15

basic_info

Product_Name: ABBLIS AB1009641
EnglishSynonyms: ABBLIS AB1009641
pro_mdlNumber: MFCD20926290
pro_acceptors: 14
pro_donors: 0
pro_smile: COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCc5cc(c(cc5[C@@H]4Cc6ccc(c(c6)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChi: InChI=1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)/t40-,41+;;
InChiKey: InChIKey=NGJVDNJEQWIMBU-CGLGBOLUSA-N

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