68357513 -OEChem-04262411232D 90 93 0 1 0 0 0 0 0999 V2000 7.5728 -2.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 1.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 -1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9554 0.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9554 -1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 -5.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -0.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 -0.4498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7290 -4.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 -6.1306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5728 -0.3919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9554 -1.3158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6489 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 0.3152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9555 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 -2.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 -3.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -2.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9555 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4554 -0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 -4.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 -3.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 3.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -5.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7992 -5.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 3.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 5.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5855 -4.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9412 -6.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5137 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8694 -6.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 6.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4518 0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -1.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0263 0.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 0.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 -0.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8478 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 -1.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 -0.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 0.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8415 0.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 1.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 0.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 -2.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4924 0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6454 0.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 0.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 -4.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2165 -3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 -0.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5754 0.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5754 1.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 2.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 1.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 -0.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 -1.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5754 -0.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 2.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 4.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 3.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 5.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4974 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4537 -6.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0012 -4.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9575 -7.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 6.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 7.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 6.9090 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 21 1 0 0 0 0 2 30 1 0 0 0 0 3 18 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 26 2 0 0 0 0 6 35 2 0 0 0 0 7 41 1 0 0 0 0 7 46 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 23 1 0 0 0 0 10 35 1 0 0 0 0 10 68 1 0 0 0 0 11 44 2 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 1 0 0 0 12 47 1 0 0 0 0 13 16 1 6 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 1 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 36 42 2 0 0 0 0 36 43 1 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 40 2 0 0 0 0 38 81 1 0 0 0 0 39 41 2 0 0 0 0 39 82 1 0 0 0 0 40 41 1 0 0 0 0 40 83 1 0 0 0 0 42 44 1 0 0 0 0 42 84 1 0 0 0 0 43 45 2 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 45 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 M END > 68357513 > 1 > 992 > 8 > 1 > 12 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAWAAAB0AAAHgAQAAAADXzhmgY+zpPIFACoAjV3XACCiCA1IiAI2CE/bNgOJnbEtZuPOWjm9hHY6Yec6CyOIAAAQAAIEABAAACAABAgAAAAAAAAAA== > tert-butyl N-[[(2R,3R)-5-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-ethyl]-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate > N-[[(2R,3R)-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3-methyl-6-oxo-10-[[oxo(pyridin-4-yl)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamic acid tert-butyl ester > tert-butyl N-[[(2R,3R)-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamate > tert-butyl N-[[(2R,3R)-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3-methyl-6-oxo-10-(pyridine-4-carbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamate > tert-butyl N-[[(2R,3R)-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3-methyl-6-oxidanylidene-10-(pyridin-4-ylcarbonylamino)-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate > N-[[(2R,3R)-10-isonicotinamido-6-keto-3-methyl-5-[(1S)-1-methyl-2-p-anisyloxy-ethyl]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamic acid tert-butyl ester > InChI=1S/C35H44N4O7/c1-23-19-39(24(2)21-44-22-25-11-13-27(43-7)14-12-25)33(41)28-9-8-10-29(37-32(40)26-15-17-36-18-16-26)31(28)45-30(23)20-38(6)34(42)46-35(3,4)5/h8-18,23-24,30H,19-22H2,1-7H3,(H,37,40)/t23-,24+,30+/m1/s1 > AOXFFBFNUZHTED-QEGDFHJFSA-N > 4.4 > 632.32099976 > C35H44N4O7 > 632.7 > CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)C(=O)OC(C)(C)C)C(C)COCC4=CC=C(C=C4)OC > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)OC(C)(C)C)[C@@H](C)COCC4=CC=C(C=C4)OC > 120 > 632.32099976 > 0 > 46 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 44 8 11 45 8 12 17 5 13 16 6 15 22 5 19 20 8 19 23 8 20 24 8 23 27 8 24 28 8 27 28 8 34 37 8 34 38 8 36 42 8 36 43 8 37 39 8 38 40 8 39 41 8 40 41 8 42 44 8 43 45 8 $$$$