44503604 -OEChem-04162403482D 81 85 0 1 0 0 0 0 0999 V2000 5.5208 -1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 -0.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -4.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 0.5513 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6770 -3.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -5.1296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 0.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9035 -0.3147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5969 0.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 -0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2279 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 3.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 3.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 4.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 4.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 4.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 5.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 4.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 5.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -5.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -4.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 1.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 1.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 1.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 -0.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 1.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 2.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 2.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 0.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 0.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 0.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 1.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -3.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -3.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -2.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 3.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 0.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 3.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2835 4.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 3.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -5.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -3.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0935 6.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 4.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 6.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -6.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 3 68 1 0 0 0 0 4 32 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 32 1 0 0 0 0 7 67 1 0 0 0 0 8 42 2 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 6 0 0 0 9 44 1 0 0 0 0 10 12 1 6 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 6 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 24 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 64 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 28 30 2 0 0 0 0 28 70 1 0 0 0 0 29 31 2 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 35 73 1 0 0 0 0 36 40 2 0 0 0 0 36 74 1 0 0 0 0 37 42 1 0 0 0 0 37 75 1 0 0 0 0 38 43 2 0 0 0 0 38 76 1 0 0 0 0 39 41 2 0 0 0 0 39 77 1 0 0 0 0 40 41 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 44503604 > 1 > 883 > 6 > 2 > 9 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAWAAAB1AAAHgAQCAAADTzhmgY+xpPIFgCoAjV3VACCiCA1IiAI2CE9bNgONnbEtZuHeWjm9hHY6YecyOCOwAAAQAAIEACAAACAABAgAAAAAAAAAA== > N-[(2R,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3S)-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl-(4-phenylbenzyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]isonicotinamide > InChI=1S/C35H38N4O4/c1-24-20-39(25(2)23-40)35(42)30-10-7-11-31(37-34(41)29-16-18-36-19-17-29)33(30)43-32(24)22-38(3)21-26-12-14-28(15-13-26)27-8-5-4-6-9-27/h4-19,24-25,32,40H,20-23H2,1-3H3,(H,37,41)/t24-,25+,32-/m0/s1 > NLDQNXPJJNOIIK-UNTHUGQZSA-N > 4.7 > 578.28930571 > C35H38N4O4 > 578.7 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)C5=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)C5=CC=CC=C5)[C@H](C)CO > 95 > 578.28930571 > 0 > 43 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 6 13 20 6 16 17 8 16 22 8 17 23 8 22 25 8 23 26 8 24 27 8 24 28 8 25 26 8 27 29 8 28 30 8 29 31 8 30 31 8 33 35 8 33 36 8 34 37 8 34 38 8 35 39 8 36 40 8 37 42 8 38 43 8 39 41 8 40 41 8 8 42 8 8 43 8 9 14 6 $$$$