null CDK 0224162309 null 33 36 0 0 0 0 0 0 0 0999 V2000 3.6791 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -1.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 0.7634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 2.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 2.4134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8212 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 3.2384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8212 3.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 3.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2501 3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 2.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 1.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9897 1.9285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 12 1 1 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 18 1 0 0 0 0 18 13 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 16 21 1 1 0 0 0 21 22 1 0 0 0 0 22 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 23 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 28 33 1 0 0 0 0 M END > CHEBI:100262 > 1-[(2R,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea > 2 > C23H33N5O5 > 459.540 > 459.24817 > 0 > COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O > InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m0/s1 > OLUPXTRBOWIZHH-QRFRQXIXSA-N > LSM-11637 $$$$