44487354 -OEChem-04182417422D 75 78 0 1 0 0 0 0 0999 V2000 5.5208 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 3.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 4.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -3.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.4752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 1.4173 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6770 -2.1577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -4.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 1.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9035 0.5513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5969 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.1823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2279 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 3.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -1.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 3.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 4.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 3.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 4.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -3.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -2.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 4.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -3.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -4.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 2.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 0.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 0.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 1.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 2.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 2.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 2.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 3.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 2.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 2.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 2.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -3.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -1.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 4.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 3.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 4.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 3.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -2.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 4.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0235 4.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 5.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -5.4952 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 64 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 63 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 1 0 0 0 10 40 1 0 0 0 0 11 13 1 6 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 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 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 60 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 61 1 0 0 0 0 27 62 1 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 29 32 2 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 31 33 2 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 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 69 1 0 0 0 0 36 39 2 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 M END > 44487354 > 1 > 785 > 7 > 2 > 9 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAWAAAB0AAAHgAQCAAADTzhmgY+xpPIFgCoAjV3VACCiCA1IiAI2CE/bNgONnbEtZuHeWjm9hHY6Yec2CKOIAAAQAAIEABAAACAABAgAAAAAAAAAA== > N-[(2R,3R)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide > N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3R)-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide > N-[(2R,3R)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl(p-anisyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]isonicotinamide > InChI=1S/C30H36N4O5/c1-20-16-34(21(2)19-35)30(37)25-6-5-7-26(32-29(36)23-12-14-31-15-13-23)28(25)39-27(20)18-33(3)17-22-8-10-24(38-4)11-9-22/h5-15,20-21,27,35H,16-19H2,1-4H3,(H,32,36)/t20-,21-,27+/m1/s1 > KFOZXKFTLXFJIR-GNMOFYLKSA-N > 3 > 532.26857026 > C30H36N4O5 > 532.6 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)OC)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)OC)[C@H](C)CO > 104 > 532.26857026 > 0 > 39 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 5 11 13 6 14 20 6 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 9 38 8 9 39 8 $$$$