68281270 -OEChem-04232406112D 61 63 0 1 0 0 0 0 0999 V2000 5.5208 -0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 4.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -3.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.6888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 1.6309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 -1.9441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -4.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 1.6888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9035 0.7649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5969 2.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.3959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2279 2.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 2.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -2.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -4.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 2.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 0.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 2.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 2.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 0.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 1.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 2.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 2.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 3.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 3.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 1.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 2.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 3.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -2.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -1.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 4.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5235 2.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -4.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -2.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -5.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 56 1 0 0 0 0 4 27 1 0 0 0 0 4 57 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 9 22 1 0 0 0 0 9 28 1 0 0 0 0 9 55 1 0 0 0 0 10 32 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 34 1 0 0 0 0 12 14 1 6 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > 68281270 > 1 > 700 > 7 > 3 > 6 > AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAWAAABwAAAHgAQCAAADTzhmgY+zpPIFgCoAjV3XACCiCA1IiAI2CE9bNgONnbEtZuHeWjm9hHY6YecyCCOAAAAQAAIEAAAAACAABAgAAAAAAAAAA== > [(2R,3R)-5-(2-hydroxy-1-methyl-ethyl)-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methyl-carbamic acid > [(2R,3R)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-10-[[oxo(pyridin-4-yl)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylcarbamic acid > [(2R,3R)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylcarbamic acid > [(2R,3R)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylcarbamic acid > methyl-[[(2R,3R)-3-methyl-6-oxidanylidene-5-(1-oxidanylpropan-2-yl)-10-(pyridin-4-ylcarbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]carbamic acid > [(2R,3R)-5-(2-hydroxy-1-methyl-ethyl)-10-isonicotinamido-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methyl-carbamic acid > InChI=1S/C23H28N4O6/c1-14-11-27(15(2)13-28)22(30)17-5-4-6-18(25-21(29)16-7-9-24-10-8-16)20(17)33-19(14)12-26(3)23(31)32/h4-10,14-15,19,28H,11-13H2,1-3H3,(H,25,29)(H,31,32)/t14-,15?,19+/m1/s1 > XYWGCANKQQMUEI-PBIBAUFZSA-N > 1.1 > 456.20088463 > C23H28N4O6 > 456.5 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)C(=O)O)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)C(=O)O)C(C)CO > 132 > 456.20088463 > 0 > 33 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 8 10 33 8 11 16 5 12 14 6 15 21 3 18 19 8 18 22 8 19 23 8 22 25 8 23 26 8 25 26 8 29 30 8 29 31 8 30 32 8 31 33 8 $$$$