16759261 -OEChem-05072407332D 88 96 0 1 0 0 0 0 0999 V2000 4.9963 -2.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 0.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -4.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 2.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3272 -0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3746 -3.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2797 -3.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 1.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 -0.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5857 -2.6003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 1.5230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 -2.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 -0.2808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5038 -1.0518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2358 -1.0518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3698 -1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5038 -0.0518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0953 -1.5466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5938 -1.5587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3698 0.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2358 -0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1087 -2.5382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3859 -2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -3.0561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7668 0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 -0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1606 1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0295 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6106 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -2.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 -4.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 -2.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8695 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 3.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1071 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 -2.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 3.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1070 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1305 -2.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -0.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9717 -0.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7268 -0.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 -0.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0568 0.9487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8464 -0.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 0.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 -3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8086 -3.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -0.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 0.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 -4.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 -4.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 -4.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -1.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2864 1.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 1.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7899 -0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8279 -3.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 2.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5519 3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 4.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4097 -0.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4477 -3.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 1.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 4.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2387 -1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 1.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 1.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 33 1 0 0 0 0 2 25 2 0 0 0 0 3 26 2 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 31 2 0 0 0 0 7 33 2 0 0 0 0 8 51 1 0 0 0 0 8 54 1 0 0 0 0 9 51 2 0 0 0 0 10 19 1 0 0 0 0 10 26 1 0 0 0 0 10 33 1 0 0 0 0 11 25 1 0 0 0 0 11 28 1 0 0 0 0 11 35 1 0 0 0 0 12 29 1 0 0 0 0 12 31 1 0 0 0 0 12 36 1 0 0 0 0 13 30 2 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 55 1 1 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 56 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 57 1 1 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 18 58 1 6 0 0 0 19 27 1 1 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 20 59 1 1 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 62 1 6 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 32 1 1 0 0 0 24 63 1 0 0 0 0 27 34 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 40 2 0 0 0 0 35 41 1 0 0 0 0 36 42 2 0 0 0 0 36 43 1 0 0 0 0 37 44 1 0 0 0 0 37 69 1 0 0 0 0 38 45 2 0 0 0 0 38 70 1 0 0 0 0 39 51 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 46 1 0 0 0 0 40 73 1 0 0 0 0 41 47 2 0 0 0 0 41 74 1 0 0 0 0 42 48 1 0 0 0 0 42 75 1 0 0 0 0 43 49 2 0 0 0 0 43 76 1 0 0 0 0 44 50 2 0 0 0 0 44 77 1 0 0 0 0 45 50 1 0 0 0 0 45 78 1 0 0 0 0 46 52 2 0 0 0 0 46 79 1 0 0 0 0 47 52 1 0 0 0 0 47 80 1 0 0 0 0 48 53 2 0 0 0 0 48 81 1 0 0 0 0 49 53 1 0 0 0 0 49 82 1 0 0 0 0 50 83 1 0 0 0 0 52 84 1 0 0 0 0 53 85 1 0 0 0 0 54 86 1 0 0 0 0 54 87 1 0 0 0 0 54 88 1 0 0 0 0 M END > 16759261 > 1 > 1750 > 10 > 0 > 7 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFgAAwYMGCAAAAAFixUAAAHgAAAAAADYjBmAYyyIMABACoAiXyXACCAAAhAgAIiAGgZMgKIDLAkZGNIAhkhCDYyQed3/KegAAAAAAAAACAAAQAACAAAAAAAAAAAA== > methyl 2-[[(1R,2S,6R,9R,13S,14R,21S)-21-benzyl-14-methyl-3,5,10,12,16,18-hexaoxo-4,11-diphenyl-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]acetate > 2-[[(1R,2S,6R,9R,13S,14R,21S)-14-methyl-3,5,10,12,16,18-hexaoxo-4,11-diphenyl-21-(phenylmethyl)-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]acetic acid methyl ester > methyl 2-[[(1R,2S,6R,9R,13S,14R,21S)-21-benzyl-14-methyl-3,5,10,12,16,18-hexaoxo-4,11-diphenyl-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]acetate > methyl 2-[[(1R,2S,6R,9R,13S,14R,21S)-21-benzyl-14-methyl-3,5,10,12,16,18-hexaoxo-4,11-diphenyl-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]acetate > methyl 2-[[(1R,2S,6R,9R,13S,14R,21S)-14-methyl-3,5,10,12,16,18-hexakis(oxidanylidene)-4,11-diphenyl-21-(phenylmethyl)-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]ethanoate > 2-[[(1R,2S,6R,9R,13S,14R,21S)-21-benzyl-3,5,10,12,16,18-hexaketo-14-methyl-4,11-diphenyl-19-oxa-4,11,17-triazahexacyclo[13.6.1.02,6.08,22.09,13.017,21]docos-15(22)-en-20-ylidene]amino]acetic acid methyl ester > InChI=1S/C41H34N4O9/c1-21-28-30-25(31-29(21)35(48)44(36(31)49)24-16-10-5-11-17-24)18-26-32(37(50)43(34(26)47)23-14-8-4-9-15-23)33(30)41(19-22-12-6-3-7-13-22)39(42-20-27(46)53-2)54-40(52)45(41)38(28)51/h3-17,21,25-26,29,31-33H,18-20H2,1-2H3/t21-,25?,26+,29-,31+,32+,33-,41-/m0/s1 > VJRNWVPBBYSHNA-PVVMTPOJSA-N > 3.1 > 726.23257867 > C41H34N4O9 > 726.7 > CC1C2C(C3CC4C(C5C3=C1C(=O)N6C5(C(=NCC(=O)OC)OC6=O)CC7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8)C(=O)N(C2=O)C9=CC=CC=C9 > C[C@@H]1[C@H]2[C@@H](C3C[C@@H]4[C@H]([C@@H]5C3=C1C(=O)N6[C@@]5(C(=NCC(=O)OC)OC6=O)CC7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8)C(=O)N(C2=O)C9=CC=CC=C9 > 160 > 726.23257867 > 0 > 54 > 7 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 55 5 15 56 3 17 57 5 18 58 6 19 27 5 20 59 5 22 62 6 24 32 5 34 37 8 34 38 8 35 40 8 35 41 8 36 42 8 36 43 8 37 44 8 38 45 8 40 46 8 41 47 8 42 48 8 43 49 8 44 50 8 45 50 8 46 52 8 47 52 8 48 53 8 49 53 8 $$$$