70075318 -OEChem-03292405262D 115118 0 1 0 0 0 0 0999 V2000 13.9750 -2.1636 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4968 -1.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3059 -2.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8817 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8762 -0.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4348 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 0.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9410 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4928 -0.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8114 0.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 0.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9295 0.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7923 0.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 20 2 1 6 0 0 0 2 74 1 0 0 0 0 3 22 2 0 0 0 0 4 28 2 0 0 0 0 5 41 1 0 0 0 0 5 51 1 0 0 0 0 6 43 1 0 0 0 0 6 53 1 0 0 0 0 7 44 1 0 0 0 0 7102 1 0 0 0 0 8 44 2 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 22 1 0 0 0 0 11 25 1 0 0 0 0 11 71 1 0 0 0 0 21 12 1 1 0 0 0 12 28 1 0 0 0 0 12 72 1 0 0 0 0 27 13 1 1 0 0 0 13 40 1 0 0 0 0 13 44 1 0 0 0 0 14 47 1 0 0 0 0 14 50 2 0 0 0 0 15 16 1 0 0 0 0 15 22 1 6 0 0 0 15 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 19 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 20 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 21 1 0 0 0 0 20 65 1 0 0 0 0 21 24 1 0 0 0 0 21 66 1 0 0 0 0 23 26 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 29 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 2 0 0 0 0 26 35 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 73 1 0 0 0 0 29 36 2 0 0 0 0 29 37 1 0 0 0 0 30 38 1 0 0 0 0 30 39 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 41 1 0 0 0 0 34 85 1 0 0 0 0 35 42 2 0 0 0 0 35 86 1 0 0 0 0 36 45 1 0 0 0 0 36 87 1 0 0 0 0 37 46 2 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 47 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 97 1 0 0 0 0 45 48 2 0 0 0 0 45 98 1 0 0 0 0 46 48 1 0 0 0 0 46 99 1 0 0 0 0 47 49 2 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 50 52 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 52103 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 54112 1 0 0 0 0 55113 1 0 0 0 0 55114 1 0 0 0 0 55115 1 0 0 0 0 M END > 70075318 > 1 > 1220 > 11 > 4 > 18 > AAADcfB/uABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgQQCAAADbzl3gayj5PIFgisAyVyXACC+KBhKjgIiJW+rIgPdjqk8TuUcCpk1hG6qAew0LIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > [(1S)-1-[[(1S,2S)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-[(2-isopropylthiazol-4-yl)methyl]carbamic acid > [(2S)-1-[[(2S,3S)-4-[(2S)-2-[(tert-butylamino)-oxomethyl]-4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-[(2-propan-2-yl-4-thiazolyl)methyl]carbamic acid > [(2S)-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamic acid > [(2S)-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamic acid > [(2S)-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamic acid > [(1S)-1-[[(1S,2S)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)-4-veratryl-piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-[(2-isopropylthiazol-4-yl)methyl]carbamic acid > InChI=1S/C41H60N6O7S/c1-26(2)36(47(40(51)52)22-30-25-55-39(42-30)27(3)4)38(50)43-31(19-28-13-11-10-12-14-28)33(48)24-46-18-17-45(23-32(46)37(49)44-41(5,6)7)21-29-15-16-34(53-8)35(20-29)54-9/h10-16,20,25-27,31-33,36,48H,17-19,21-24H2,1-9H3,(H,43,50)(H,44,49)(H,51,52)/t31-,32-,33-,36-/m0/s1 > UNMSYULYDYDRMV-RKNDVXSYSA-N > 3 > 780.42441945 > C41H60N6O7S > 781.0 > CC(C)C1=NC(=CS1)CN(C(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)CC4=CC(=C(C=C4)OC)OC)O)C(=O)O > CC(C)C1=NC(=CS1)CN([C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN3CCN(C[C@H]3C(=O)NC(C)(C)C)CC4=CC(=C(C=C4)OC)OC)O)C(=O)O > 185 > 780.42441945 > 0 > 55 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 49 8 1 50 8 21 12 5 27 13 5 14 47 8 14 50 8 15 22 6 20 2 6 26 34 8 26 35 8 29 36 8 29 37 8 34 41 8 35 42 8 36 45 8 37 46 8 41 43 8 42 43 8 45 48 8 46 48 8 47 49 8 $$$$