9939627 -OEChem-05142420392D 104103 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 5.3001 14.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6302 13.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 12.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 15.0739 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 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 12.6613 2.0369 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 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 7.0321 14.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 13.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 13.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 14.0739 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 7.0321 14.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 12.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 13.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1671 13.8839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 74 1 0 0 0 0 2 26 2 0 0 0 0 3 33 1 0 0 0 0 3 39 1 0 0 0 0 4 37 1 0 0 0 0 4 41 1 0 0 0 0 5 38 2 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 46 1 0 0 0 0 7103 1 0 0 0 0 8 47 1 0 0 0 0 8104 1 0 0 0 0 9 46 2 0 0 0 0 10 47 2 0 0 0 0 16 11 1 6 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 26 1 0 0 0 0 12 29 1 0 0 0 0 12 75 1 0 0 0 0 13 38 1 0 0 0 0 13 87 1 0 0 0 0 13 88 1 0 0 0 0 14 15 1 1 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 53 1 0 0 0 0 20 19 1 6 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 56 1 0 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 30 2 0 0 0 0 25 32 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 33 1 0 0 0 0 30 78 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 38 1 0 0 0 0 32 34 2 0 0 0 0 32 79 1 0 0 0 0 33 37 2 0 0 0 0 34 37 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 39 40 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 42 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 44101 1 0 0 0 0 45 47 1 0 0 0 0 45102 1 0 0 0 0 M END > 9939627 > 1 > 836 > 11 > 6 > 21 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADzzhmAYyDoLABgCIAiHSGAACCAAgIAAIiIEOiMgPNjqE8RqGeCKl1hGKuYe6yfCeoAABAAAAQABAAAIAAACAAAAAAAAAAA== > (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;fumaric 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;(E)-2-butenedioic 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;(E)-but-2-enedioic 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;(E)-but-2-enedioic 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;(E)-but-2-enedioic 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;fumaric acid > InChI=1S/C30H53N3O6.C4H4O4/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;5-3(6)1-2-4(7)8/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23-,24-,25-;/m0./s1 > RSFGNDXWVZPKJA-KVBHIGNWSA-N > 667.40439502 > C34H57N3O10 > 667.8 > 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.C(=CC(=O)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.C(=C/C(=O)O)\C(=O)O > 221 > 667.40439502 > 0 > 47 > 4 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 17 1 6 16 11 6 14 15 5 20 19 6 25 30 8 25 32 8 30 33 8 32 34 8 33 37 8 34 37 8 $$$$