5287986 -OEChem-04272400072D 64 65 0 1 0 0 0 0 0999 V2000 8.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 1.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 24 1 0 0 0 0 3 61 1 0 0 0 0 12 4 1 6 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 6 18 1 0 0 0 0 19 6 1 1 0 0 0 6 44 1 0 0 0 0 11 7 1 6 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 17 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 6 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 29 2 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > 5287986 > 1 > 591 > 5 > 6 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADSjhmAYzAILAAgCoAiFSNAACAAEgAAAJiIGIAIiKcDqA2TGUYAAklgKYiAeYwaAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2S)-2-amino-2-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]acetyl]amino]-N-[(1S)-1-benzyl-2-hydroxy-ethyl]-4-methyl-pentanamide > (2S)-2-[[(2S)-2-amino-2-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-1-oxoethyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-amino-2-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]acetyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-amino-2-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]acetyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-azanyl-2-[(6R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoyl]amino]-4-methyl-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]pentanamide > (2S)-2-[[(2S)-2-amino-2-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]acetyl]amino]-N-[(1S)-1-benzyl-2-hydroxy-ethyl]-4-methyl-valeramide > InChI=1S/C21H34N6O3/c1-13(2)10-17(26-20(30)18(22)16-8-9-24-21(23)27-16)19(29)25-15(12-28)11-14-6-4-3-5-7-14/h3-7,13,15-18,28H,8-12,22H2,1-2H3,(H,25,29)(H,26,30)(H3,23,24,27)/t15-,16+,17-,18-/m0/s1 > FTGCEXGWCNSDRW-MHORFTMASA-N > -0.1 > 418.26923897 > C21H34N6O3 > 418.5 > CC(C)CC(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C2CCN=C(N2)N)N > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CO)NC(=O)[C@H]([C@H]2CCN=C(N2)N)N > 155 > 418.26923897 > 0 > 30 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 31 6 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 12 4 6 19 6 5 11 7 6 $$$$