54620490 -OEChem-04162419282D 76 79 0 1 0 0 0 0 0999 V2000 6.5792 3.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5168 1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 4.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0222 -5.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 4.9148 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1923 3.5426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1258 1.9974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 5.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 5.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 4.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 4.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5817 5.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9619 4.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2548 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8858 4.8492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8096 4.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8858 5.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1923 3.5426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8096 2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9619 2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8858 2.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6923 4.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6923 2.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0376 1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2538 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3505 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 -1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 -2.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8282 -3.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6789 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -4.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8879 -4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 -5.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 5.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 6.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 6.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 3.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 6.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 5.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 4.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 5.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 6.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 4.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 5.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9928 5.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 5.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4243 4.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8906 5.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 4.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 3.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6289 3.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5058 5.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8858 6.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2658 5.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 3.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 5.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 4.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1554 2.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 2.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2293 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6131 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 0.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0023 4.9455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 -2.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -2.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2526 -4.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 -4.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 -5.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -6.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 -6.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 24 1 0 0 0 0 3 69 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 1 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 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 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 6 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 27 2 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 68 1 0 0 0 0 29 30 3 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 M END > 54620490 > 1 > 795 > 6 > 1 > 9 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAWAAABwAAAHgAACAAADTzhmgY+hpMIFgDoEjF3VAiCiCA1ICAI2CEuTNgONv7E9ZuPeejm5hHY6ceY0QAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(1S)-2-hydroxy-1-methyl-ethyl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-5-[(2S)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(1S)-2-hydroxy-1-methyl-ethyl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one > InChI=1S/C30H39N3O4/c1-21-17-33(22(2)20-34)30(35)27-15-25(10-9-23-11-13-26(36-4)14-12-23)16-31-29(27)37-28(21)19-32(3)18-24-7-5-6-8-24/h11-16,21-22,24,28,34H,5-8,17-20H2,1-4H3/t21-,22-,28-/m0/s1 > AZUAACLSGPQINZ-VPYPWEPUSA-N > 4.9 > 505.29405673 > C30H39N3O4 > 505.6 > CC1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)OC)OC1CN(C)CC4CCCC4)C(C)CO > C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO > 75.1 > 505.29405673 > 0 > 37 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 5 16 19 5 20 25 6 22 23 8 23 26 8 26 27 8 27 28 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 7 22 8 7 28 8 $$$$