44202620 -OEChem-04262419172D 86 89 0 1 0 0 0 0 0999 V2000 8.7577 2.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6953 0.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8709 3.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -6.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0191 5.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 -1.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 6.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3709 2.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 3.6256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2157 -4.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5290 -1.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 4.0739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 3.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1404 3.1774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9882 3.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3709 2.2535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0643 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9882 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1404 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 3.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2162 -0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3044 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 4.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4324 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0814 -3.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 -5.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1411 -5.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8724 -3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5591 -6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2754 -6.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 -2.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 4.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 4.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 5.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 6.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 6.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5798 3.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 3.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 3.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0691 3.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9412 4.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 4.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 1.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6843 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 5.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9785 3.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2883 3.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 1.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1809 0.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4078 1.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -0.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7343 0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6097 2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0481 2.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8074 2.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 -0.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 -3.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -4.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 -4.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8342 -5.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7606 -5.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 -4.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1608 -3.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4630 -3.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1028 -1.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 -6.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4272 -7.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 -6.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -6.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1809 3.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6339 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9608 3.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9449 5.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 5.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7994 7.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 7.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 6.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 6.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 19 2 0 0 0 0 3 22 1 0 0 0 0 3 78 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 28 2 0 0 0 0 6 36 2 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 26 1 0 0 0 0 11 36 1 0 0 0 0 11 73 1 0 0 0 0 12 28 1 0 0 0 0 12 37 1 0 0 0 0 12 79 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 13 44 1 0 0 0 0 14 16 1 6 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 6 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 59 1 0 0 0 0 25 29 2 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 64 1 0 0 0 0 30 33 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 34 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 35 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 36 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 80 1 0 0 0 0 39 41 2 0 0 0 0 39 81 1 0 0 0 0 40 42 2 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 M END > 44202620 > 1 > 911 > 8 > 3 > 10 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAWAAABQAAAHgAQCAAADTzhmAYzxoPABgCIAiVSUACCCAAlIgAIiAEObMiONj7E9ZuHeWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > N-[(2S,3R)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-2-[[(4-methoxyphenyl)carbamoyl-methyl-amino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholino-propanamide > N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide > N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholin-4-ylpropanamide > N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholin-4-ylpropanamide > N-[(2S,3R)-2-[[(4-methoxyphenyl)carbamoyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholin-4-yl-propanamide > N-[(2S,3R)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-2-[[(4-methoxyphenyl)carbamoyl-methyl-amino]methyl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholino-propionamide > InChI=1S/C31H43N5O7/c1-21-18-36(22(2)20-37)30(39)26-17-24(32-29(38)11-12-35-13-15-42-16-14-35)7-10-27(26)43-28(21)19-34(3)31(40)33-23-5-8-25(41-4)9-6-23/h5-10,17,21-22,28,37H,11-16,18-20H2,1-4H3,(H,32,38)(H,33,40)/t21-,22+,28-/m1/s1 > GZTCRZUPEZJWSX-RZIGYZOXSA-N > 1.4 > 597.31624873 > C31H43N5O7 > 597.7 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)OC1CN(C)C(=O)NC4=CC=C(C=C4)OC)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO > 133 > 597.31624873 > 0 > 43 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 18 6 14 16 6 17 23 6 20 21 8 20 24 8 21 25 8 24 26 8 25 29 8 26 29 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 $$$$