44502277 -OEChem-05082410062D 88 90 0 1 0 0 0 0 0999 V2000 9.8462 1.2863 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 2.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -2.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3462 2.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3462 0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 1.7863 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9059 -2.7830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.2863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2482 1.7863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -1.2137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.7863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7841 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 -0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3103 -0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 0.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 2.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 -1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 2.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 -2.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 3.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3602 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 -1.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 1.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 2.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -3.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1753 -0.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 1.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 -1.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9812 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -2.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -3.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -3.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -3.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 -2.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0003 -1.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 -1.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6203 -0.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 21 1 0 0 0 0 4 74 1 0 0 0 0 5 19 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 32 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 42 1 0 0 0 0 12 14 1 6 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 1 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 30 1 1 0 0 0 24 65 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 32 2 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 35 2 0 0 0 0 31 73 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 75 1 0 0 0 0 34 37 2 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 36 38 2 0 0 0 0 36 78 1 0 0 0 0 37 38 1 0 0 0 0 37 79 1 0 0 0 0 38 41 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 M END > 44502277 > 1 > 904 > 8 > 1 > 7 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQASAAADTzh2AYyx4MABgKIAiVSUHDCCBAlIgAIiBkObMgONjbEtZuHeWjm5hHY6Ye86CyOEEAAQAAIAAAggACAABAAAAAAAAAAAA== > N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(1R)-2-hydroxy-1-methyl-ethyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethyl-benzenesulfonamide > N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide > N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide > N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide > N-[[(3R,9S,10S)-16-(dimethylamino)-3,10-dimethyl-13-oxidanylidene-12-[(2R)-1-oxidanylpropan-2-yl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethyl-benzenesulfonamide > N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(1R)-2-hydroxy-1-methyl-ethyl]-13-keto-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethyl-benzenesulfonamide > InChI=1S/C31H47N3O6S/c1-22-11-14-27(15-12-22)41(37,38)33(7)20-30-23(2)19-34(24(3)21-35)31(36)28-18-26(32(5)6)13-16-29(28)40-25(4)10-8-9-17-39-30/h11-16,18,23-25,30,35H,8-10,17,19-21H2,1-7H3/t23-,24+,25+,30+/m0/s1 > HYZLHQOJAWWHRH-RZDWVWPCSA-N > 4.4 > 589.31855740 > C31H47N3O6S > 589.8 > CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C > C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C > 108 > 589.31855740 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 6 12 14 6 16 23 5 24 30 5 25 27 8 25 29 8 27 31 8 28 33 8 28 34 8 29 32 8 31 35 8 32 35 8 33 36 8 34 37 8 36 38 8 37 38 8 $$$$