44202943 -OEChem-05102418402D 82 86 0 1 0 0 0 0 0999 V2000 4.8284 4.1974 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.0258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 2.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7634 0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 2.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 3.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 4.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 -2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 2.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 3.4903 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5972 -1.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 -4.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 3.4247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2086 3.0420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0563 3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 3.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 2.1181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1324 4.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 0.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 2.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 -0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 5.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 4.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -3.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -4.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 -2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 -5.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2383 -5.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 5.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 -3.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 -6.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -4.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -7.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 3.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 2.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 3.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 4.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 4.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 1.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 4.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 5.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 4.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 3.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 3.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 2.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 1.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8598 -0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 0.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 3.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -2.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 6.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 4.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2289 -4.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5311 -3.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -3.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 7.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 5.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -5.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 -6.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 -4.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 -4.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 -5.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -7.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -7.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 40 1 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 5 67 1 0 0 0 0 8 34 2 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 11 27 1 0 0 0 0 11 34 1 0 0 0 0 11 68 1 0 0 0 0 12 36 1 0 0 0 0 12 39 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 13 46 1 0 0 0 0 14 16 1 1 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 2 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 66 1 0 0 0 0 30 37 1 0 0 0 0 30 69 1 0 0 0 0 31 38 2 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 35 1 0 0 0 0 33 39 2 0 0 0 0 35 36 1 0 0 0 0 35 41 2 0 0 0 0 36 42 2 0 0 0 0 37 40 2 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 39 73 1 0 0 0 0 41 44 1 0 0 0 0 41 76 1 0 0 0 0 42 45 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 45 2 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 M END > 44202943 > 1 > 1130 > 8 > 2 > 9 > AAADcfB/uQBAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAWAFgB9AAAHwQQSAAADTzh3g4+x/PMFgKoAzV3VHDCiDA1IiAI2Dk+bNgONvbEtZuHeWjm9hHY6Ye8yeCegEAAQAAKAAAAgACAABQAAAAAAAAAAA== > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)ethanamide > N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide > InChI=1S/C33H37FN4O6S/c1-21-17-38(22(2)20-39)33(41)28-16-25(35-32(40)15-23-18-36(3)29-8-6-5-7-27(23)29)11-14-30(28)44-31(21)19-37(4)45(42,43)26-12-9-24(34)10-13-26/h5-14,16,18,21-22,31,39H,15,17,19-20H2,1-4H3,(H,35,40)/t21-,22-,31+/m1/s1 > FJHHLBXTRXTTFF-ZGPNTQEDSA-N > 3.5 > 636.24178425 > C33H37FN4O6S > 636.7 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)OC1CN(C)S(=O)(=O)C5=CC=C(C=C5)F)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)S(=O)(=O)C5=CC=C(C=C5)F)[C@H](C)CO > 130 > 636.24178425 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 36 8 12 39 8 13 18 6 14 16 5 17 23 5 20 21 8 20 26 8 21 25 8 25 27 8 26 29 8 27 29 8 28 30 8 28 31 8 30 37 8 31 38 8 33 35 8 33 39 8 35 36 8 35 41 8 36 42 8 37 40 8 38 40 8 41 44 8 42 45 8 44 45 8 $$$$