Mrv1533004161508102D 51 54 0 0 0 0 999 V2000 -7.3045 5.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8195 5.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9991 5.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6635 6.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 6.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 6.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 7.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 7.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 6.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8665 7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8665 7.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 7.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 8.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 8.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 6.6862 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 5.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 5.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 5.1789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 5.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 4.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 3.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 1.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8086 1.8319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 3.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 2.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 2.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 3.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 4.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0814 4.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 4.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 4.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 4.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 4.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8497 3.9078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3647 3.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 2.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 3.3266 0.0000 O 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 4 3 1 4 0 0 0 4 5 2 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 12 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 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 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 26 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 3 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 44 51 1 0 0 0 0 M END > NP0327781 > NP-MRD > COC1C=CC=C(C)C(OC)C2=CC(OC)=C(Cl)C(=C2)N(C)C(=O)CC(OC(=O)C(C)NC(=O)C(C)C)C2(C)OC2C(C)C2CC1(O)NC(=O)O2 > InChI=1S/C36H50ClN3O11/c1-18(2)32(42)38-21(5)33(43)50-27-16-28(41)40(7)23-14-22(15-24(46-8)29(23)37)30(48-10)19(3)12-11-13-26(47-9)36(45)17-25(49-34(44)39-36)20(4)31-35(27,6)51-31/h11-15,18,20-21,25-27,30-31,45H,16-17H2,1-10H3,(H,38,42)(H,39,44) > ZOEMEKDIPYTCFY-UHFFFAOYSA-N > C36H50ClN3O11 > 736.26 > 735.3133871 > 9 > 101 > 76.552130910731 > 1 > 3 > 0 > 0 > 11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-(2-methylpropanamido)propanoate > 2.74 > 3.6143348656666663 > -4.60 > 1 > 4 > 0 > 11.60814550698766 > 11.257633740733489 > -1.6325727653189759 > 174.48999999999998 > 186.57080000000002 > 8 > 0 > 1.86e-02 g/l > 11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-(2-methylpropanamido)propanoate > 0 > NP0327781 > n-[1-({11-chloro-21,23-dihydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl}oxy)-1-oxopropan-2-yl]-2-methylpropanimidic acid $$$$