44500855 -OEChem-05072419552D 89 91 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 13.3103 -0.7137 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 2.0000 -1.2622 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 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 14.1764 -0.2137 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 1.4619 -1.5701 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 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 14.4864 -0.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7133 0.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8664 0.3232 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 10 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 4 22 1 0 0 0 0 4 75 1 0 0 0 0 5 20 2 0 0 0 0 8 39 1 0 0 0 0 8 42 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 11 33 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 6 0 0 0 12 43 1 0 0 0 0 13 15 1 6 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 1 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 31 1 1 0 0 0 25 66 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 32 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 33 2 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 2 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 34 76 1 0 0 0 0 35 37 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 39 2 0 0 0 0 37 79 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 M END > 44500855 > 1 > 922 > 9 > 1 > 8 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQASAAADTzh2AYyx4MABgKIAiVSUHDCCBAlIgAIiBkObMgONjbEtZuHeWjm5hHY6Ye86CyOAMAAQAAIAAABgACAABAAAAAAAAAAAA== > 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]-4-methoxy-N-methyl-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]-4-methoxy-N-methylbenzenesulfonamide > 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]-4-methoxy-N-methylbenzenesulfonamide > 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]-4-methoxy-N-methylbenzenesulfonamide > 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]-4-methoxy-N-methyl-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]-4-methoxy-N-methyl-benzenesulfonamide > InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23+,24+,30+/m0/s1 > OKIGVZMNGZVCJM-QXFFIUSXSA-N > 4 > 605.31347202 > C31H47N3O7S > 605.8 > 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)OC > 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)OC > 117 > 605.31347202 > 0 > 42 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 6 13 15 6 17 24 5 25 31 5 26 28 8 26 30 8 28 32 8 29 35 8 29 36 8 30 33 8 32 34 8 33 34 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$