null CDK 0225161911 null 40 42 0 0 0 0 0 0 0 0999 V2000 0.4825 -3.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 -2.4002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6247 -2.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -0.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 2.0945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 2.3766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 1.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 3.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 -1.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -1.8699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5468 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -3.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5481 -3.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -3.9324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1356 -4.2344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 -2.8054 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -2.2824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6856 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 -3.5199 0.0000 O 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 2 0 0 0 0 5 7 1 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 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 4 37 1 0 0 0 0 37 38 1 6 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:124808 > 1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea > 2 > C26H33F3N4O6S > 586.626 > 586.20729 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO > InChI=1S/C26H33F3N4O6S/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(31-40(4,37)38)9-10-22(18)39-23(16)14-32(3)25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,31,34H,12-15H2,1-4H3,(H,30,36)/t16-,17-,23-/m0/s1 > ULBVSTNRUTTXDI-QQMNAOGKSA-N > LSM-36250 $$$$