Mrv1533004231519442D 48 57 0 0 0 0 999 V2000 3.3071 5.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 5.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 5.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 4.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 4.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 3.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 2.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 3.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3953 3.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 3.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 3.5967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 2.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 4.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 4.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 4.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 5.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 5.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2072 7.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6117 6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 6.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 5.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 4.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 5.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0507 5.8183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 5.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 6.6249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 7.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 8.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 9.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 8.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 7.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2169 3.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 8 20 1 0 0 0 0 12 20 1 0 0 0 0 21 20 1 4 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 23 34 1 0 0 0 0 27 34 1 0 0 0 0 32 35 1 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 31 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 30 44 1 0 0 0 0 39 44 1 0 0 0 0 9 45 1 0 0 0 0 45 46 1 0 0 0 0 6 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 M END > NP0329933 > NP-MRD > COC(=O)C1C2CC3N(CCC4C5=CC=CC=C5N1C34C=CC1=COCC3C4CC5=C(C(CC13)N4C)N(C)C1=CC=CC=C51)C\C2=C\C > InChI=1S/C41H46N4O3/c1-5-24-21-44-17-15-32-27-11-7-9-13-34(27)45-39(40(46)47-4)29(24)20-37(44)41(32,45)16-14-25-22-48-23-31-28(25)18-36-38-30(19-35(31)42(36)2)26-10-6-8-12-33(26)43(38)3/h5-14,16,22,28-29,31-32,35-37,39H,15,17-21,23H2,1-4H3/b16-14?,24-5- > NOKYQXVIWFQLED-WGFDLPKGSA-N > C41H46N4O3 > 642.844 > 642.356991357 > 5 > 94 > 71.35190344138006 > 0 > 0 > 0 > 0 > methyl (13E)-17-(2-{3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethenyl)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate > 5.86 > 5.303248401333331 > -5.53 > 0 > 10 > 2 > 9.065634464978803 > 50.18000000000001 > 191.84109999999998 > 4 > 0 > 1.90e-03 g/l > methyl (13E)-17-(2-{3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethenyl)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate > 0 > NP0329933 > methyl (13e)-17-(2-{3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethenyl)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate $$$$