57345715 -OEChem-05052410572D 70 73 0 1 0 0 0 0 0999 V2000 10.4035 4.8814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 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 6.4633 -1.5398 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 5.8190 -3.1476 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 2 0 0 0 0 0 0 0 0 0 5.9035 0.5513 0.0000 C 0 0 1 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 6.2279 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 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 8.4035 1.4173 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 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 5.6770 -2.1577 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 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 6.8892 -4.5094 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 7.8175 -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 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 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 3.5648 2.3428 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 3.8236 2.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 3.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 3.3087 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 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 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 5.3315 -3.5307 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 6.4018 -4.8926 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 7.9055 -5.4952 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 1 32 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 27 2 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 64 1 0 0 0 0 8 36 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 9 38 1 0 0 0 0 10 12 1 1 0 0 0 10 39 1 0 0 0 0 11 40 1 0 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 13 46 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 47 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 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 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 59 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 60 1 0 0 0 0 26 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 67 1 0 0 0 0 35 37 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > 57345715 > 1 > 753 > 6 > 1 > 7 > AAADcfB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAWAAAB0AAAHwAQAAAADTzhmg4+xpPIFACoAjV3VACCiCA1IiAI2CE8bNgOJnbE9duHPWjm9hHY6YeYy2COAAACAAAIAAAAAAQAABAAAAAAAAAAAA== > (2S,3S)-2-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-5-isopropyl-3-methyl-6-oxo-N-(4-pyridyl)-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2S,3S)-2-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-propan-2-yl-N-pyridin-4-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > (2S,3S)-2-[[(4-fluorobenzyl)-methyl-amino]methyl]-5-isopropyl-6-keto-3-methyl-N-(4-pyridyl)-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide > InChI=1S/C29H33FN4O3/c1-19(2)34-16-20(3)26(18-33(4)17-21-8-10-22(30)11-9-21)37-27-24(6-5-7-25(27)29(34)36)28(35)32-23-12-14-31-15-13-23/h5-15,19-20,26H,16-18H2,1-4H3,(H,31,32,35)/t20-,26+/m0/s1 > WFCHDEWCMNXYBS-RXFWQSSRSA-N > 4.2 > 504.25366909 > C29H33FN4O3 > 504.6 > CC1CN(C(=O)C2=C(C(=CC=C2)C(=O)NC3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)F)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)F)C(C)C > 74.8 > 504.25366909 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 5 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 36 8 35 37 8 8 36 8 8 37 8 9 13 6 $$$$