54644055 -OEChem-05221303572D 62 65 0 1 0 0 0 0 0999 V2000 4.2690 0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -3.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -4.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.4648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -5.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -6.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -7.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -6.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -6.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -1.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -3.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -6.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -4.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 -7.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 -5.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 -7.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 7.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 7.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 48 1 0 0 0 0 3 18 2 0 0 0 0 4 29 1 0 0 0 0 4 33 1 0 0 0 0 10 5 1 6 0 0 0 5 18 1 0 0 0 0 5 45 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 1 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 53 1 0 0 0 0 26 31 2 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 54644055 > 1 > 597 > 6 > 3 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAAAB0AAAHgAYCAAADDzhngY/xpLIBgCqAzRnVACCDAQxsgAY2KA+fJiPdqLEsZuXcChu1hPb6CewwKAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethyl]tetrahydropyran-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethyl]oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1,2,3-triazol-1-yl)ethyl]oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-(4-methoxyphenyl)-3-[(2R,3R,6S)-2-methylol-6-[2-(4-phenyltriazol-1-yl)ethyl]tetrahydropyran-3-yl]urea > InChI=1S/C24H29N5O4/c1-32-19-9-7-18(8-10-19)25-24(31)26-21-12-11-20(33-23(21)16-30)13-14-29-15-22(27-28-29)17-5-3-2-4-6-17/h2-10,15,20-21,23,30H,11-14,16H2,1H3,(H2,25,26,31)/t20-,21+,23-/m0/s1 > UUZPIDYGQWUWPP-XJUOHMSHSA-N > 2.7 > 451.221954 > C24H29N5O4 > 451.51816 > COC1=CC=C(C=C1)NC(=O)NC2CCC(OC2CO)CCN3C=C(N=N3)C4=CC=CC=C4 > COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CC=CC=C4 > 111 > 451.221954 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 11 15 5 13 16 5 19 20 8 21 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 28 8 25 30 8 26 31 8 27 29 8 28 29 8 30 32 8 31 32 8 10 5 6 6 19 8 6 8 8 8 9 8 9 20 8 $$$$