null CDK 0225161902 null 35 38 0 0 0 0 0 0 0 0999 V2000 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 -6.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 -7.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 -7.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6687 -6.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 -8.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -6.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 -6.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -6.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1077 -7.7765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -8.3285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7100 -8.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -8.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -9.4326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0530 -9.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 -9.1355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4507 -9.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -8.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -9.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -10.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 -11.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -11.3436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 -11.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7424 -10.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -10.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -10.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 -11.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -11.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -10.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -9.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -9.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -9.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3225 -10.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 15 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 M END > CHEBI:117941 > 2-[(2S,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide > 2 > C26H30N4O5 > 478.541 > 478.22162 > 0 > CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4 > InChI=1S/C26H30N4O5/c1-16-25(17(2)35-30-16)29-26(33)28-22-13-12-21(34-23(22)15-31)14-24(32)27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,21-23,31H,12-15H2,1-2H3,(H,27,32)(H2,28,29,33)/t21-,22+,23+/m0/s1 > HUTGYGSTODGUGG-YTFSRNRJSA-N > LSM-29390 $$$$