56846647 -OEChem-05092414282D 84 88 0 1 0 0 0 0 0999 V2000 6.8953 2.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5871 0.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 -2.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 3.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 5.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 6.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 2.4954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 4.3795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 -1.1896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3655 3.9656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3986 3.7106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2296 3.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 4.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 2.3610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4999 4.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2034 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 3.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8548 1.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -5.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -5.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 -4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 3.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 -6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 -6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2264 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 5.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 -5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 -6.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -6.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5976 5.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 4.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 3.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3924 4.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3440 4.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 5.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 4.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 5.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8855 5.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9468 -3.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2762 3.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5386 3.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2811 1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0898 0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 1.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -2.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 0.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4036 -3.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 3.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 2.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 3.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 -7.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 -7.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6871 0.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5277 -5.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -5.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 -6.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -6.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4577 3.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -1.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 6.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 6.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 5.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 7.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 6.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 27 1 0 0 0 0 3 42 1 0 0 0 0 4 23 1 0 0 0 0 4 78 1 0 0 0 0 5 37 1 0 0 0 0 5 43 1 0 0 0 0 6 37 2 0 0 0 0 7 42 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 33 1 0 0 0 0 9 37 1 0 0 0 0 10 30 1 0 0 0 0 10 42 1 0 0 0 0 10 79 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 6 0 0 0 11 46 1 0 0 0 0 12 14 1 1 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 1 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 25 1 0 0 0 0 21 31 2 0 0 0 0 22 26 1 0 0 0 0 22 32 2 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 35 2 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 64 1 0 0 0 0 29 36 2 0 0 0 0 29 65 1 0 0 0 0 30 36 1 0 0 0 0 31 38 1 0 0 0 0 31 66 1 0 0 0 0 32 39 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 40 1 0 0 0 0 34 71 1 0 0 0 0 35 41 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 38 40 2 0 0 0 0 38 74 1 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 43 44 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 45 2 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 M END > 56846647 > 1 > 1020 > 7 > 2 > 11 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAWAGABUAAAHgAQCAAADTzhmAYyzoPABgCIAiVSWACCCAAlIgAIiAEObMkONjbEtZuPeWjm9hHY6Ye8yPCOgEAAQAAYAAAAgACAADAAAQAACAAAAA== > allyl N-[[(2R,3R)-8-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate > N-[[(2R,3R)-8-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamic acid prop-2-enyl ester > prop-2-enyl N-[[(2R,3R)-8-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamate > prop-2-enyl N-[[(2R,3R)-8-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylcarbamate > prop-2-enyl N-[[(2R,3R)-8-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate > N-[[(2R,3R)-8-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamic acid allyl ester > InChI=1S/C35H39N3O7/c1-5-16-43-35(42)37(4)19-32-22(2)18-38(23(3)20-39)33(40)29-17-24(14-15-31(29)45-32)36-34(41)44-21-30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30/h5-15,17,22-23,30,32,39H,1,16,18-21H2,2-4H3,(H,36,41)/t22-,23-,32+/m1/s1 > SIBTVNJDIHZMAN-PQDHALMWSA-N > 5 > 613.27880059 > C35H39N3O7 > 613.7 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC1CN(C)C(=O)OCC=C)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O[C@H]1CN(C)C(=O)OCC=C)[C@H](C)CO > 118 > 613.27880059 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 6 12 14 5 15 24 5 19 20 8 19 28 8 20 29 8 21 25 8 21 31 8 22 26 8 22 32 8 25 34 8 26 35 8 28 30 8 29 36 8 30 36 8 31 38 8 32 39 8 34 40 8 35 41 8 38 40 8 39 41 8 $$$$