44493436 -OEChem-04162405582D 82 86 0 1 0 0 0 0 0999 V2000 5.5208 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 3.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 4.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -4.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 0.9843 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6770 -2.5908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -4.6966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 1.0422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9035 0.1183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5969 1.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.7493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2279 1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -2.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -3.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -3.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -4.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -3.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 4.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -5.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -3.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 5.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9035 5.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9035 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4035 4.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 1.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 1.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 1.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 -0.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 1.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 2.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 2.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 2.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 3.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 2.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 1.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -3.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -2.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 4.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 1.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 2.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 2.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 4.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -5.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -2.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -5.9282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -3.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 5.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2135 5.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2135 3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0235 4.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 19 1 0 0 0 0 3 69 1 0 0 0 0 4 33 1 0 0 0 0 4 37 1 0 0 0 0 5 30 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 30 1 0 0 0 0 8 68 1 0 0 0 0 9 38 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 45 1 0 0 0 0 11 13 1 1 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 1 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 25 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 65 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 28 70 1 0 0 0 0 29 32 2 0 0 0 0 29 71 1 0 0 0 0 30 34 1 0 0 0 0 31 33 2 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 35 74 1 0 0 0 0 36 39 2 0 0 0 0 36 75 1 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 M END > 44493436 > 1 > 902 > 7 > 2 > 10 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAWAAAB1AAAHgAQCAAADTzhmgY+xpPIFgCoAjV3VACCiCA1IiAI2CE/bNgONnbEtZuHeWjm9hHY6Yec2CKOIAAAQAAIEABAAACAABAgAAAAAAAAAA== > N-[(2S,3S)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide > N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2S,3S)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2S,3S)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl-(4-phenoxybenzyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]isonicotinamide > InChI=1S/C35H38N4O5/c1-24-20-39(25(2)23-40)35(42)30-10-7-11-31(37-34(41)27-16-18-36-19-17-27)33(30)44-32(24)22-38(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-19,24-25,32,40H,20-23H2,1-3H3,(H,37,41)/t24-,25-,32+/m0/s1 > ACSVFUACEODJDN-PNRGXICFSA-N > 4.6 > 594.28422033 > C35H38N4O5 > 594.7 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C)CO > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO > 104 > 594.28422033 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 13 5 14 20 5 17 18 8 17 23 8 18 24 8 23 26 8 24 27 8 25 28 8 25 29 8 26 27 8 28 31 8 29 32 8 31 33 8 32 33 8 34 35 8 34 36 8 35 38 8 36 39 8 37 40 8 37 41 8 40 42 8 41 43 8 42 44 8 43 44 8 9 38 8 9 39 8 $$$$