44489694 -OEChem-03292406522D 92 95 0 1 0 0 0 0 0999 V2000 7.2482 2.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -2.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.2483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 1.7517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 1.7517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -2.8176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.2517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2482 1.7517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -1.2483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.7517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7841 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -3.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3103 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4283 2.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3103 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2203 1.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2284 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -0.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 0.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 0.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 0.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 2.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 2.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 -1.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 2.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -1.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 -2.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -2.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 2.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 3.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3602 2.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 -1.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 1.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 2.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -3.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 2.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -2.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -3.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -3.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 -2.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0413 -0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8878 3.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 -0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 -0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7537 1.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3239 3.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7665 3.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 20 1 0 0 0 0 3 77 1 0 0 0 0 4 18 2 0 0 0 0 5 27 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 27 1 0 0 0 0 8 33 1 0 0 0 0 8 79 1 0 0 0 0 9 30 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 6 0 0 0 10 45 1 0 0 0 0 11 13 1 6 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 1 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 19 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 23 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 29 1 1 0 0 0 23 68 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 28 30 2 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 76 1 0 0 0 0 32 78 1 0 0 0 0 33 34 1 0 0 0 0 33 37 2 0 0 0 0 34 38 1 0 0 0 0 34 39 2 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 40 1 0 0 0 0 37 86 1 0 0 0 0 38 41 1 0 0 0 0 38 42 2 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 40 41 2 0 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 42 44 1 0 0 0 0 42 90 1 0 0 0 0 43 44 2 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 M END > 44489694 > 1 > 904 > 6 > 2 > 6 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgAQCAAADTzhmAYzxsPABgCIAiVSUACCCAAlIgAIiAEObMiONjbEtZuHeWju9hPY6ae86KyOgEAAQAAaAAAAgACAADQAAAAAAAAAAA== > 1-[[(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]-1-methyl-3-(1-naphthyl)urea > 1-[[(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]-1-methyl-3-(1-naphthalenyl)urea > 1-[[(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]-1-methyl-3-naphthalen-1-ylurea > 1-[[(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]-1-methyl-3-naphthalen-1-ylurea > 1-[[(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]-1-methyl-3-naphthalen-1-yl-urea > 1-[[(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]-1-methyl-3-(1-naphthyl)urea > InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33+/m0/s1 > UBYZDEGPUXBRQE-GJFGOQOUSA-N > 5.3 > 604.36247064 > C35H48N4O5 > 604.8 > CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 > 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)C(=O)NC3=CC=CC4=CC=CC=C43 > 94.6 > 604.36247064 > 0 > 44 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 13 6 15 22 5 23 29 5 24 25 8 24 28 8 25 31 8 28 30 8 30 32 8 31 32 8 33 34 8 33 37 8 34 38 8 34 39 8 37 40 8 38 41 8 38 42 8 39 43 8 40 41 8 42 44 8 43 44 8 $$$$