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0 0 0 0 0 0 5.0000 -1.7320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 3.4641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.4641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5000 -6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.7320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -4.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -4.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -5.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -5.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -6.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -5.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -4.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -6.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 -5.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 -4.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -3.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -4.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 3.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 4.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 6.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 5.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 3 23 2 0 0 0 0 28 4 1 6 0 0 0 4 86 1 0 0 0 0 5 27 2 0 0 0 0 6 30 2 0 0 0 0 7 38 2 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 49 1 0 0 0 0 9 19 1 0 0 0 0 9 30 1 0 0 0 0 9 61 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 0 0 0 0 10 62 1 0 0 0 0 11 22 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 1 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 50 1 0 0 0 0 20 29 1 0 0 0 0 20 32 1 1 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 22 53 1 0 0 0 0 24 31 1 0 0 0 0 24 33 1 6 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 28 35 1 0 0 0 0 28 63 1 0 0 0 0 29 34 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 31 36 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 39 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 M END > 16760412 > 1 > 895 > 7 > 4 > 16 > AAADcfB7uAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADXzhgAYCAAPABgAIAIEQEAIAAAAAAAAAAIHIAAACUBYAgCQUQAAGNgCQAAG4wHAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S)-2-[[(3S)-2-[acetyl(methyl)amino]-3-methyl-pentanoyl]amino]-N-[(2R)-2-hydroxy-1-[[3-methyl-1-[(2R)-2-methyloxirane-2-carbonyl]butyl]carbamoyl]propyl]-3-methyl-pentanamide > (3S)-2-[[(3S)-2-[acetyl(methyl)amino]-3-methyl-1-oxopentyl]amino]-N-[(3R)-3-hydroxy-1-[[4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide > (3S)-2-[[(3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(3R)-3-hydroxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide > (3S)-2-[[(3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(3R)-3-hydroxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide > (3S)-2-[[(3S)-2-[ethanoyl(methyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-N-[(3R)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]pentanamide > (3S)-2-[[(3S)-2-[acetyl(methyl)amino]-3-methyl-pentanoyl]amino]-N-[(2R)-2-hydroxy-1-[[3-methyl-1-[(2R)-2-methyloxirane-2-carbonyl]butyl]carbamoyl]propyl]-3-methyl-valeramide > InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)/t16-,17-,18+,20?,21?,22?,23?,28+/m0/s1 > DOGIDQKFVLKMLQ-BPHQUOOUSA-N > 2.3 > 554.36794995 > C28H50N4O7 > 554.7 > CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(CO1)C)NC(=O)C(C(C)CC)N(C)C(=O)C > CC[C@H](C)C(C(=O)NC([C@@H](C)O)C(=O)NC(CC(C)C)C(=O)[C@]1(CO1)C)NC(=O)C([C@@H](C)CC)N(C)C(=O)C > 157 > 554.36794995 > 0 > 39 > 4 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 5 14 16 3 19 27 3 20 32 5 21 23 3 22 30 3 24 33 6 28 4 6 $$$$