16076883 -OEChem-04232412202D 97101 0 1 0 0 0 0 0999 V2000 2.0000 1.5474 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.5447 -0.6558 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5557 -0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3537 -0.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5611 -0.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8801 -2.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -3.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -4.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 4.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3801 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 0.1532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 -1.1309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 -2.7490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.0715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3746 0.8577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2701 1.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1836 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9624 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1325 -1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6823 2.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0460 -1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 -2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9788 -0.2649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9734 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3097 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.0715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5007 -0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 3.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8856 -2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2978 -2.8535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7045 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1112 -4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -4.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6181 -3.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 3.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -5.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -3.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 -4.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 5.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6296 1.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5303 1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0157 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5537 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0657 2.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4920 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3927 -1.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6410 -2.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5088 -3.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2091 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 0.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 1.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 -0.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8807 -0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4359 -1.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7056 3.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7246 4.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 -3.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 -2.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -4.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3634 -5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6776 -4.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 -4.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0432 -4.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8702 -3.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1845 -3.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 -2.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 4.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 3.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -4.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -5.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -5.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -3.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 -3.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5778 -5.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -5.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3066 -4.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7062 4.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 5.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 5.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 46 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 20 2 0 0 0 0 6 26 2 0 0 0 0 28 7 1 6 0 0 0 7 37 1 0 0 0 0 8 31 2 0 0 0 0 9 38 1 0 0 0 0 9 44 1 0 0 0 0 10 38 2 0 0 0 0 11 43 1 0 0 0 0 11 51 1 0 0 0 0 17 12 1 1 0 0 0 12 26 1 0 0 0 0 12 55 1 0 0 0 0 13 20 1 0 0 0 0 13 62 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 0 0 0 0 14 31 1 0 0 0 0 32 15 1 6 0 0 0 15 38 1 0 0 0 0 15 72 1 0 0 0 0 16 37 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 6 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 22 30 2 0 0 0 0 22 57 1 0 0 0 0 23 24 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 25 26 1 1 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 73 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 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 0 0 0 0 41 46 2 0 0 0 0 41 82 1 0 0 0 0 42 43 2 0 0 0 0 42 83 1 0 0 0 0 44 48 1 0 0 0 0 44 49 1 0 0 0 0 44 50 1 0 0 0 0 45 47 2 0 0 0 0 45 84 1 0 0 0 0 46 47 1 0 0 0 0 47 85 1 0 0 0 0 48 86 1 0 0 0 0 48 87 1 0 0 0 0 48 88 1 0 0 0 0 49 89 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 M END > 16076883 > 1 > 1470 > 10 > 3 > 14 > AAADcfB/vABEAAAAAAAAAAAAGDAAAWAAAAA8QAAAAAAAAACx8AAAHgYQQAAAD/7l2ia+jtPIFAKoAjF3XHTCiCAxZSAI2KGvTpkOZvLFs7ufOCjm1hHY6Af60aAPhAAAIAAQAAAIAABAACAAAAAAAAAAAA== > tert-butyl N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate > N-[(2S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester > tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate > tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate > tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloranyl-4-methoxy-isoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate > N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester > InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 > XRWSZZJLZRKHHD-WVWIJVSJSA-N > 4.9 > 747.2704769 > C35H46ClN5O9S > 748.3 > CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C > CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C > 191 > 747.2704769 > 0 > 51 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 12 5 32 15 6 16 37 8 16 42 8 18 22 6 25 26 5 37 39 8 39 40 8 39 41 8 40 43 8 40 45 8 41 46 8 42 43 8 45 47 8 46 47 8 28 7 6 $$$$