56972270 -OEChem-05102406232D 81 85 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 6.4633 -1.9729 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 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 5.8190 -3.5806 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 1 0 0 0 0 0 0 0 0 0 5.9035 0.1183 0.0000 C 0 0 2 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 6.2279 1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 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 8.4035 0.9843 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 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 5.6770 -2.5908 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 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 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 3.5648 1.9097 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 3.8236 2.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 3.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 2.8757 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 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 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 5.3315 -3.9637 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 10 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 27 2 0 0 0 0 4 32 1 0 0 0 0 4 36 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 27 1 0 0 0 0 7 33 1 0 0 0 0 7 70 1 0 0 0 0 8 37 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 1 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 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 19 1 0 0 0 0 14 20 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 24 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 23 65 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 28 30 1 0 0 0 0 28 68 1 0 0 0 0 29 31 2 0 0 0 0 29 69 1 0 0 0 0 30 32 2 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 34 73 1 0 0 0 0 35 38 2 0 0 0 0 35 74 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 40 42 2 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 43 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 56972270 > 1 > 881 > 6 > 1 > 9 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAWAAAB1AAAHgAQAAAADTzhmgY+xpPIFACoAjV3VACCiCA1IiAI2CE+bNgOJnbE9duHPWjm9hHY6YeY22KOIAACAAAIAABAAAQAABAAAAAAAAAAAA== > (2R,3R)-5-isopropyl-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-N-(4-pyridyl)-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2R,3R)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2R,3R)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2R,3R)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2R,3R)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxidanylidene-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2R,3R)-5-isopropyl-6-keto-3-methyl-2-[[methyl-(4-phenoxybenzyl)amino]methyl]-N-(4-pyridyl)-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > InChI=1S/C35H38N4O4/c1-24(2)39-21-25(3)32(23-38(4)22-26-13-15-29(16-14-26)42-28-9-6-5-7-10-28)43-33-30(11-8-12-31(33)35(39)41)34(40)37-27-17-19-36-20-18-27/h5-20,24-25,32H,21-23H2,1-4H3,(H,36,37,40)/t25-,32+/m1/s1 > ZGFHVOJRVNEGHP-GOXGLGGOSA-N > 5.6 > 578.28930571 > C35H38N4O4 > 578.7 > CC1CN(C(=O)C2=C(C(=CC=C2)C(=O)NC3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C)C > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)C(=O)NC3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C)C > 84 > 578.28930571 > 0 > 43 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 6 16 17 8 16 22 8 17 23 8 22 25 8 23 26 8 24 28 8 24 29 8 25 26 8 28 30 8 29 31 8 30 32 8 31 32 8 33 34 8 33 35 8 34 37 8 35 38 8 36 39 8 36 40 8 39 41 8 40 42 8 41 43 8 42 43 8 8 37 8 8 38 8 9 13 5 $$$$