44202729 -OEChem-05122421152D 77 80 0 1 0 0 0 0 0999 V2000 4.3801 4.2543 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 -6.4553 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9401 -6.6344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 -5.0524 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3151 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4907 3.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 4.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 -2.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 2.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 3.5472 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1489 -1.7934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -3.3962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 3.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7603 3.0989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6080 3.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 3.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9907 2.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6842 4.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 3.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 2.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 4.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 5.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 6.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 6.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3579 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7012 -4.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -3.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 -4.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -4.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -5.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -5.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -5.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 3.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 2.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2227 3.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 3.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 4.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7912 4.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6807 1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 4.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 4.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5984 3.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9081 3.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9538 0.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 0.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0277 1.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 2.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 1.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 2.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4115 -0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 -0.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 3.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 4.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 6.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7226 -2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 5.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 7.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 6.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 -3.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 -3.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4093 -5.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -4.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 -6.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 44 1 0 0 0 0 3 44 1 0 0 0 0 4 44 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 21 2 0 0 0 0 7 24 1 0 0 0 0 7 66 1 0 0 0 0 10 37 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 30 1 0 0 0 0 13 37 1 0 0 0 0 13 69 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 15 45 1 0 0 0 0 16 18 1 6 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 1 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 2 0 0 0 0 27 63 1 0 0 0 0 28 31 2 0 0 0 0 28 64 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 43 2 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 43 44 1 0 0 0 0 M END > 44202729 > 1 > 1080 > 10 > 3 > 8 > AAADcfB7uYBAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAWAAABUAAAHwQQSAAADTzh2BYzx4PABgKIAiVSUHDCCBAlIgAIiBkObMiONjbEtZuHeWju9hPY6ae8yCCOCEAAQAAIAAAQgACAABAAAAAAAAAAAA== > 1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > 1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > 1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > 1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > 1-[(2S,3S)-3-methyl-2-[[methyl(phenylsulfonyl)amino]methyl]-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > 1-[(2S,3S)-2-[[besyl(methyl)amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea > InChI=1S/C30H33F3N4O6S/c1-19-16-37(20(2)18-38)28(39)25-15-23(35-29(40)34-22-11-9-21(10-12-22)30(31,32)33)13-14-26(25)43-27(19)17-36(3)44(41,42)24-7-5-4-6-8-24/h4-15,19-20,27,38H,16-18H2,1-3H3,(H2,34,35,40)/t19-,20+,27+/m0/s1 > PEHWLDDZWQGNOT-ASHZAFPQSA-N > 4 > 634.20729044 > C30H33F3N4O6S > 634.7 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)OC1CN(C)S(=O)(=O)C4=CC=CC=C4)C(C)CO > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@H](C)CO > 137 > 634.20729044 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 20 5 16 18 6 19 25 5 22 23 8 22 28 8 23 27 8 27 30 8 28 31 8 29 32 8 29 33 8 30 31 8 32 34 8 33 35 8 34 36 8 35 36 8 38 39 8 38 40 8 39 41 8 40 42 8 41 43 8 42 43 8 $$$$