441542 -OEChem-05142402022D 103107 0 1 0 0 0 0 0999 V2000 7.3525 -0.4273 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2825 5.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4847 1.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -4.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 1.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 -0.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2447 -2.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -5.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 -3.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 -3.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 2.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 3.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0112 0.2770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 1.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2773 -1.8992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6441 -2.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1081 -3.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 3.4387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7938 4.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7825 4.5136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1876 3.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 1.0386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6113 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 2.9387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6205 0.5727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6205 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 -0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 -2.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1683 -2.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4865 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -3.5113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2292 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1008 -1.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2833 -0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 -1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 3.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2886 -2.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0482 -1.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2674 -2.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 -4.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -2.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 -3.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8553 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -2.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6936 -2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7991 -1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 -4.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -2.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 3.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 5.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1773 4.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 4.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 3.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7241 3.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2135 1.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 4.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9025 5.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 0.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 3.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 0.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 0.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 0.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 -2.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -3.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -2.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 1.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 -1.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 3.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 3.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 2.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -1.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 -2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 -2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -3.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -4.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 -2.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -3.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -3.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -3.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6092 -0.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 -3.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2086 -1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2647 -0.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3897 -0.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -1.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 -4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2303 -4.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 -4.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 -3.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 -3.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 35 1 0 0 0 0 23 2 1 6 0 0 0 2 64 1 0 0 0 0 3 25 2 0 0 0 0 4 26 2 0 0 0 0 37 5 1 6 0 0 0 5 96 1 0 0 0 0 6 36 2 0 0 0 0 7 38 2 0 0 0 0 8 40 2 0 0 0 0 44 9 1 6 0 0 0 9102 1 0 0 0 0 10 46 1 0 0 0 0 10103 1 0 0 0 0 11 45 2 0 0 0 0 12 50 2 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 29 1 0 0 0 0 14 63 1 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 15 68 1 0 0 0 0 16 30 1 0 0 0 0 16 36 1 0 0 0 0 16 75 1 0 0 0 0 17 33 1 0 0 0 0 17 40 1 0 0 0 0 17 80 1 0 0 0 0 18 35 1 0 0 0 0 18 43 1 0 0 0 0 18 81 1 0 0 0 0 19 39 1 0 0 0 0 19 50 1 0 0 0 0 19 85 1 0 0 0 0 20 45 1 0 0 0 0 20 48 1 0 0 0 0 20 90 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 56 1 1 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 6 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 36 1 0 0 0 0 29 42 1 6 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 40 1 0 0 0 0 30 69 1 6 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 35 2 0 0 0 0 32 41 1 0 0 0 0 33 34 1 6 0 0 0 33 45 1 0 0 0 0 33 72 1 0 0 0 0 34 37 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 37 46 1 0 0 0 0 37 47 1 0 0 0 0 38 39 1 0 0 0 0 39 44 1 0 0 0 0 39 76 1 6 0 0 0 41 43 1 0 0 0 0 41 49 2 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 51 2 0 0 0 0 44 52 1 0 0 0 0 44 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 6 0 0 0 48 89 1 0 0 0 0 49 53 1 0 0 0 0 49 91 1 0 0 0 0 51 55 1 0 0 0 0 51 92 1 0 0 0 0 52 93 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 53 55 2 0 0 0 0 53 97 1 0 0 0 0 54 98 1 0 0 0 0 54 99 1 0 0 0 0 54100 1 0 0 0 0 55101 1 0 0 0 0 M END > 441542 > 1 > 1510 > 12 > 11 > 4 > AAADcfB//ABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB8AAAHgQQCAAADHzl3gaywfPJkgioAyVyVACC0iBhCjAImbG4ZJgLcPbgkbGUYAhmtgD5yAe6ncKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methyl-propyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > (1S,14R,18S,20S,23S,28S,31S,34R)-23,31-dimethyl-28-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]-18-oxidanyl-34-[(1S)-1-oxidanylethyl]-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methyl-propyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone > InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1 > KPKZJLCSROULON-QKGLWVMZSA-N > -1.7 > 788.31632555 > C35H48N8O11S > 788.9 > CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O > C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CO)O)C)[C@H](C)O > 317 > 788.31632555 > 0 > 55 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 35 8 18 43 8 23 2 6 21 56 5 27 62 6 29 42 6 30 69 6 32 35 8 32 41 8 33 34 6 39 76 6 41 43 8 41 49 8 43 51 8 48 54 6 49 53 8 37 5 6 51 55 8 53 55 8 44 9 6 $$$$