44484769 -OEChem-03192404242D 73 75 0 1 0 0 0 0 0999 V2000 2.0000 6.0408 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 3.2124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7634 -0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 2.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 3.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 -3.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 1.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 2.5053 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5972 -2.8353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -4.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 2.4397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2086 2.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0563 2.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 1.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1324 3.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 1.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 -1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 -0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 3.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 -1.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 3.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 4.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 -3.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 5.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -6.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 2.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 1.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 2.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 2.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 3.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 4.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 2.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 -0.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 1.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 1.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8598 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -0.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 -1.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 2.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 5.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 4.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 6.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -4.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 -4.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 -6.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 -6.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -5.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 -4.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 -4.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 -5.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 27 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 60 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 28 1 0 0 0 0 11 34 1 0 0 0 0 11 63 1 0 0 0 0 12 34 1 0 0 0 0 12 36 1 0 0 0 0 12 66 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 13 39 1 0 0 0 0 14 16 1 1 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 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 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 2 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 31 62 1 0 0 0 0 32 35 2 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 M END > 44484769 > 1 > 908 > 7 > 3 > 8 > AAADcfB7uABEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAWAAABQAAAHgYQSAAADT7h2CYzx4PABgKIAiVSUHDCCBAlJwAIiJkObsiONjbFt5uHeWju9hPY6ae8yCCOAEIAQAAIAAAAhACAABAAAAAAAAAAAA== > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-isopropyl-urea > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-yl-urea > 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-isopropyl-urea > InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)29-20-8-11-23-22(12-20)25(33)31(18(4)15-32)13-17(3)24(37-23)14-30(5)38(35,36)21-9-6-19(27)7-10-21/h6-12,16-18,24,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18+,24-/m0/s1 > NMFHWISFZINRTB-RHGYRFJNSA-N > 3 > 566.1965837 > C26H35ClN4O6S > 567.1 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)OC1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)C(C)CO > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO > 137 > 566.1965837 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 18 5 14 16 5 17 23 5 20 21 8 20 26 8 21 25 8 25 28 8 26 29 8 27 30 8 27 31 8 28 29 8 30 32 8 31 33 8 32 35 8 33 35 8 $$$$