54645138 -OEChem-05231310572D 66 69 0 1 0 0 0 0 0999 V2000 4.2690 0.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -6.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -2.7436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -3.6946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.3442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -3.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -5.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -4.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -6.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -6.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -7.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 2.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -2.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -5.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -3.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 -6.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 -5.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 7.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 8.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 7.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -8.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -8.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -7.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 50 1 0 0 0 0 3 19 2 0 0 0 0 4 30 1 0 0 0 0 4 34 1 0 0 0 0 5 33 1 0 0 0 0 5 35 1 0 0 0 0 11 6 1 1 0 0 0 6 19 1 0 0 0 0 6 47 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 52 1 0 0 0 0 9 10 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 1 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 6 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 53 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 31 1 0 0 0 0 26 55 1 0 0 0 0 27 32 2 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 54645138 > 1 > 642 > 7 > 3 > 9 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAAAB0AAAHgAYCAAADDzhngY/xpLIBgCqAzRnVACCDAQxsgAY2KA+fJiPdqLEsZuXcChu1hPb6Cew0KEOIEAAAAAAAABAgAAAAAAAAAAAAAAAAA== > 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]tetrahydropyran-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea > 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]ethyl]oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-(4-methoxyphenyl)-3-[(2S,3S,6S)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]-2-methylol-tetrahydropyran-3-yl]urea > InChI=1S/C25H31N5O5/c1-33-19-7-3-17(4-8-19)23-15-30(29-28-23)14-13-21-11-12-22(24(16-31)35-21)27-25(32)26-18-5-9-20(34-2)10-6-18/h3-10,15,21-22,24,31H,11-14,16H2,1-2H3,(H2,26,27,32)/t21-,22-,24+/m0/s1 > XWIUCUDQZWLWMH-WPFOTENUSA-N > 2.7 > 481.232519 > C25H31N5O5 > 481.54414 > COC1=CC=C(C=C1)C2=CN(N=N2)CCC3CCC(C(O3)CO)NC(=O)NC4=CC=C(C=C4)OC > COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@H](O3)CO)NC(=O)NC4=CC=C(C=C4)OC > 120 > 481.232519 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 10 21 8 12 16 5 14 17 6 20 21 8 22 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 31 8 27 32 8 28 30 8 29 30 8 31 33 8 32 33 8 11 6 5 7 20 8 7 9 8 9 10 8 $$$$