57335262 -OEChem-05042405282D 74 77 0 1 0 0 0 0 0999 V2000 12.4035 2.9298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 2.9298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 -5.9666 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 1.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 2.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 5.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 3.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -2.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 2.9298 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6770 -0.6453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -2.0072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 2.9876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9035 2.0637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5969 3.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.6947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2279 3.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 4.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 2.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 2.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -2.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -3.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 -4.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -4.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 -4.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 1.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 3.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 3.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 1.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 3.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 3.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 4.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 4.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 4.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 5.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 4.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 3.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 4.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 4.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -1.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -0.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -0.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 5.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 4.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 1.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2135 4.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2135 1.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -1.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 -2.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 -3.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -4.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 -4.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 42 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 20 2 0 0 0 0 6 23 1 0 0 0 0 6 65 1 0 0 0 0 9 33 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 33 1 0 0 0 0 12 64 1 0 0 0 0 13 33 1 0 0 0 0 13 37 1 0 0 0 0 13 70 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 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 23 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 61 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 34 1 0 0 0 0 31 66 1 0 0 0 0 32 35 2 0 0 0 0 32 67 1 0 0 0 0 34 36 2 0 0 0 0 34 68 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 72 1 0 0 0 0 40 42 2 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 M END > 57335262 > 1 > 1020 > 8 > 3 > 8 > AAADcfB7uQBEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAWAAABUAAAHwYQSAAADT7h2C4zx4PABgKIAiVSUHDCCBAlJwAIiBkNbsiONjbFt5uHeWju9hPY6aecyCCOAAIAQAAIEAAABACAABAgAAAAAAAAAA== > 1-[2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-(2-hydroxy-1-methyl-ethyl)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > 1-[2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > 1-[2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > 1-[2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > 1-[2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-(1-oxidanylpropan-2-yl)-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > 1-[2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-(2-hydroxy-1-methyl-ethyl)-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea > InChI=1S/C29H32ClFN4O6S/c1-18-15-35(19(2)17-36)28(37)24-5-4-6-25(33-29(38)32-22-11-9-21(31)10-12-22)27(24)41-26(18)16-34(3)42(39,40)23-13-7-20(30)8-14-23/h4-14,18-19,26,36H,15-17H2,1-3H3,(H2,32,33,38) > OZYYCECXSZQYIA-UHFFFAOYSA-N > 3.9 > 618.1715118 > C29H32ClFN4O6S > 619.1 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)C(C)CO > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)C(C)CO > 137 > 618.1715118 > 0 > 42 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 19 3 15 17 3 18 24 3 21 22 8 21 26 8 22 27 8 26 29 8 27 30 8 28 31 8 28 32 8 29 30 8 31 34 8 32 35 8 34 36 8 35 36 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 $$$$