44202860 -OEChem-05072418192D 80 84 0 1 0 0 0 0 0999 V2000 5.5208 -1.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -4.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 -0.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 4.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.7544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 -2.8785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 0.6965 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7472 -4.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -5.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7371 -4.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 0.7544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9035 -0.1695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8190 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.4615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2279 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9035 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 4.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 5.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9035 5.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9035 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4035 4.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3755 -4.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 -5.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 -5.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3439 -4.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 -3.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 1.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 1.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 1.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 -0.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -2.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 1.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 2.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 2.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 0.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -3.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -1.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 1.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 1.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -3.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 3.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 2.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 1.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 3.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 2.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 5.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 2.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2135 5.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2135 2.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0235 4.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 23 1 0 0 0 0 4 71 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 54 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 6 0 0 0 12 47 1 0 0 0 0 13 16 1 1 0 0 0 13 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 6 0 0 0 17 53 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 30 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 27 29 2 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 72 1 0 0 0 0 32 34 2 0 0 0 0 32 73 1 0 0 0 0 33 35 2 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 34 75 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 77 1 0 0 0 0 39 41 2 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 41 80 1 0 0 0 0 M END > 44202860 > 1 > 854 > 6 > 2 > 10 > AAADcfB/OAAAAAAAAAAAAAAAGAAAAAAAAAAwYMAAAAAWAAABUAAAHgAQCAAADTzhmAYyxoPABgCIAiVSUACCCAAlIgAIiAEPbMgONjbEtZuHeWjm9hHY6Yec2CKOIAAAQAAIEABAAACAABAgAAAAAAAAAA== > N-[(2S,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > N-[(2S,3S)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > N-[(2S,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl-(4-phenoxybenzyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide > InChI=1S/C33H39N3O5/c1-22-18-36(23(2)21-37)33(39)28-10-7-11-29(34-32(38)25-14-15-25)31(28)41-30(22)20-35(3)19-24-12-16-27(17-13-24)40-26-8-5-4-6-9-26/h4-13,16-17,22-23,25,30,37H,14-15,18-21H2,1-3H3,(H,34,38)/t22-,23+,30+/m0/s1 > GHLGUBAWDNIZDR-DDFCPOBKSA-N > 4.4 > 557.28897135 > C33H39N3O5 > 557.7 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)OC1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C)CO > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@H](C)CO > 91.3 > 557.28897135 > 0 > 41 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 18 6 13 16 5 17 24 6 19 20 8 19 21 8 20 26 8 21 27 8 26 29 8 27 29 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 40 41 8 $$$$