null CDK 0224162317 null 34 35 0 0 0 0 0 0 0 0999 V2000 6.0028 -7.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2728 -7.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7327 -6.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -6.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 -7.4348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8424 -7.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -8.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -8.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -6.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 -5.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -5.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -5.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 -4.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -4.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 -4.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -4.6284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -6.9671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6230 -7.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 -7.4348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7032 -6.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 -8.0584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -8.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 -7.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -8.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3235 -8.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8636 -9.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5935 -9.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 -10.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -9.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1336 -10.5530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1631 -6.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 17 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:101794 > 3-(2-fluorophenyl)-1-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea > 2 > C23H31F2N3O5S > 499.573 > 499.19525 > 0 > C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC > InChI=1S/C23H31F2N3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1 > DYSXQKGXYVAXRN-GSHUGGBRSA-N > LSM-13156 $$$$