Mrv1652309092202562D 62 66 0 0 0 0 999 V2000 1.3351 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 -0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 0.0535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 0.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 2.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 2.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 2.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 3.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 3.9159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 3.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 3.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 2.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 3.6899 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3441 3.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 3.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 2.1732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 0.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 -0.1264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 -0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -1.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 3.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 4.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 4.6379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 4.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 5.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 6.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 6.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 7.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 4.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 4.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7682 3.5463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5904 3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9089 2.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7664 2.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 2.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5785 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7497 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 2.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 2.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 2.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2925 0.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 0.9734 0.0000 N 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 1 0 0 0 0 3 5 1 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 10 9 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 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 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 15 24 1 0 0 0 0 18 24 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 4 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 32 31 1 4 0 0 0 32 33 2 0 0 0 0 5 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 4 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 45 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 53 54 1 4 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 54 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 62 13 1 4 0 0 0 M END > NP0276689 > NP-MRD > CCC(C)C1N=C(O)CN=C(O)C2CC3=C(NC4=CC(O)=CC=C34)SCC(N=C(O)CN=C1O)C(O)=NC(CC(O)=N)C(=O)N1CC(O)CC1C(O)=NC(C(C)C(C)O)C(O)=N2 > InChI=1S/C39H54N10O12S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-62-38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58) > JPQAXLYDHQQGBO-UHFFFAOYSA-N > C39H54N10O12S > 886.98 > 886.364338393 > 20 > 116 > 89.00202133979968 > 0 > 13 > 0 > 0 > 2-[34-(butan-2-yl)-2,8,11,14,22,30,33,36,39-nonahydroxy-13-(3-hydroxybutan-2-yl)-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid > 1.4253910999999992 > 1 > 5 > 0 > 3.246160344476838 > 2.805372665860736 > 369.00000000000006 > 232.86960000000008 > 6 > 0 > 2-[2,8,11,14,22,30,33,36,39-nonahydroxy-13-(3-hydroxybutan-2-yl)-5-oxo-34-(sec-butyl)-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid > 0 > NP0276689 > 2-[2,8,11,14,22,30,33,36,39-nonahydroxy-13-(3-hydroxybutan-2-yl)-5-oxo-34-(sec-butyl)-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0⁶,¹⁰.0¹⁸,²⁶.0¹⁹,²⁴]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid $$$$