24794885 -OEChem-05112419312D 107107 0 1 0 0 0 0 0999 V2000 7.4651 1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 13.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 16.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 14.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4346 12.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 2.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 13.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 15.0739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4651 2.0369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.0369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1613 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1613 1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 14.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 15.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 14.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 15.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4346 13.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 3.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6982 2.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4713 3.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6244 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6244 1.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8513 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6982 0.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 9.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 10.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 10.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 12.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 15.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5696 15.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 13.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 77 1 0 0 0 0 2 28 2 0 0 0 0 3 35 1 0 0 0 0 3 41 1 0 0 0 0 4 39 1 0 0 0 0 4 43 1 0 0 0 0 5 40 2 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 48 2 0 0 0 0 8 49 2 0 0 0 0 9 50 1 0 0 0 0 9107 1 0 0 0 0 10 50 2 0 0 0 0 18 11 1 6 0 0 0 11 69 1 0 0 0 0 11 70 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 12 78 1 0 0 0 0 13 40 1 0 0 0 0 13 90 1 0 0 0 0 13 91 1 0 0 0 0 14 46 1 0 0 0 0 14 48 1 0 0 0 0 14104 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15106 1 0 0 0 0 16 17 1 1 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 56 1 0 0 0 0 22 21 1 6 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 35 1 0 0 0 0 32 81 1 0 0 0 0 33 36 2 0 0 0 0 33 82 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 34 40 1 0 0 0 0 35 39 2 0 0 0 0 36 39 1 0 0 0 0 36 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 41 42 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 44 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 46 47 2 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 47105 1 0 0 0 0 M END > 24794885 > 1 > 985 > 11 > 7 > 20 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADzzhmAYzDoLABgCIAiXSWACCCAAgIgAIiIGOiMiPNjqE8TqGeCKt1zOauce6yfCeoAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide;2,4-dioxo-1H-pyrimidine-6-carboxylic acid > (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;2,4-dioxo-1H-pyrimidine-6-carboxylic acid > (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;2,4-dioxo-1H-pyrimidine-6-carboxylic acid > (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;2,4-dioxo-1H-pyrimidine-6-carboxylic acid > (2S,4S,5S,7S)-5-azanyl-N-(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-4-oxidanyl-2-propan-2-yl-nonanamide;2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid > (2S,4S,5S,7S)-5-amino-N-(3-amino-3-keto-2,2-dimethyl-propyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-pelargonamide;orotic acid > InChI=1S/C30H53N3O6.C5H4N2O4/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;8-3-1-2(4(9)10)6-5(11)7-3/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H,(H,9,10)(H2,6,7,8,11)/t22-,23-,24-,25-;/m0./s1 > OYQRWBFWLSYDIZ-NATPOTRJSA-N > 707.41054303 > C35H57N5O10 > 707.9 > CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C1=C(NC(=O)NC1=O)C(=O)O > CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C1=C(NC(=O)NC1=O)C(=O)O > 242 > 707.41054303 > 0 > 50 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 1 6 18 11 6 14 46 8 14 48 8 15 48 8 15 49 8 16 17 5 22 21 6 27 32 8 27 33 8 32 35 8 33 36 8 35 39 8 36 39 8 46 47 8 47 49 8 $$$$