null CDK 0224162206 null 32 33 0 0 0 0 0 0 0 0999 V2000 5.6739 -5.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8721 -4.4924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2776 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -4.1492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 -3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -3.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -4.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 -4.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -3.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 -3.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 -2.4330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4942 -5.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8813 -5.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -6.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6647 -4.2636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2592 -4.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0518 -4.6068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -3.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6463 -5.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 -5.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 -5.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 -5.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4205 -5.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 -6.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4297 -6.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8353 -6.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8169 -7.2381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -3.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 -3.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 11 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 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 17 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:97098 > 1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea > 2 > C24H33ClFN3O3 > 465.989 > 465.21945 > 0 > C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC > InChI=1S/C24H33ClFN3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)25)23(32-4)15-28(3)24(31)27-21-11-9-20(26)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1 > OEVRCWMHWGKQED-IEGUWTFLSA-N > LSM-8477 $$$$