68281279 -OEChem-05062423092D 61 63 0 1 0 0 0 0 0999 V2000 5.5208 0.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.3418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 2.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 -1.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -3.3969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 2.3418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9035 1.4179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5969 2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2279 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 2.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -3.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -2.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 0.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 3.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 3.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 1.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 3.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 2.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 3.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 4.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 4.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 3.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 2.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 -2.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6918 -2.8878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5235 3.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -1.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -4.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -2.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -4.6285 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 25 1 0 0 0 0 3 57 1 0 0 0 0 4 25 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 22 1 0 0 0 0 6 25 1 0 0 0 0 7 20 1 0 0 0 0 7 26 1 0 0 0 0 7 54 1 0 0 0 0 8 30 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 32 1 0 0 0 0 10 12 1 6 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > 68281279 > 1 > 610 > 6 > 2 > 6 > AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAWAAABwAAAHgAQCAAADTzhmgY+zpPIFgCoAjV3XACCiCA1IiAI2KE9bNgOJnbEtZuHOWjm9hHY6YecyCCOAAAAQAAIEAAAAACAABAgAAAAAAAAAA== > [(2R,3R)-5-isopropyl-3-methyl-6-oxo-10-(4-pyridylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methyl-carbamic acid > methyl-[[(2R,3R)-3-methyl-6-oxo-5-propan-2-yl-10-(pyridin-4-ylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]carbamic acid > methyl-[[(2R,3R)-3-methyl-6-oxo-5-propan-2-yl-10-(pyridin-4-ylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]carbamic acid > methyl-[[(2R,3R)-3-methyl-6-oxo-5-propan-2-yl-10-(pyridin-4-ylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]carbamic acid > methyl-[[(2R,3R)-3-methyl-6-oxidanylidene-5-propan-2-yl-10-(pyridin-4-ylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]carbamic acid > [(2R,3R)-5-isopropyl-6-keto-3-methyl-10-(4-pyridylmethylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methyl-carbamic acid > InChI=1S/C23H30N4O4/c1-15(2)27-13-16(3)20(14-26(4)23(29)30)31-21-18(22(27)28)6-5-7-19(21)25-12-17-8-10-24-11-9-17/h5-11,15-16,20,25H,12-14H2,1-4H3,(H,29,30)/t16-,20+/m1/s1 > RIOWICCZTIWAIA-UZLBHIALSA-N > 2.8 > 426.22670545 > C23H30N4O4 > 426.5 > CC1CN(C(=O)C2=C(C(=CC=C2)NCC3=CC=NC=C3)OC1CN(C)C(=O)O)C(C)C > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NCC3=CC=NC=C3)O[C@H]1CN(C)C(=O)O)C(C)C > 95 > 426.22670545 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 6 16 17 8 16 20 8 17 21 8 20 23 8 21 24 8 23 24 8 27 28 8 27 29 8 28 30 8 29 31 8 8 30 8 8 31 8 9 14 5 $$$$