44201929 -OEChem-04252406282D 102108 0 1 0 0 0 0 0999 V2000 6.7402 -2.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 1.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1336 2.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9468 6.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 3.4348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5156 4.1831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 -1.4454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 2.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 -4.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6832 -5.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -5.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 -5.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 -5.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4508 2.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1829 2.9348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8742 -3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 3.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8615 3.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 -4.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0497 -4.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0591 -6.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 -6.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 -0.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8864 3.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 3.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8133 1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 -5.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -5.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0796 -6.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 -6.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 3.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7402 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 4.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4910 3.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2189 5.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 3.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 4.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1697 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2435 5.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1450 4.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8730 5.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8237 5.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5516 6.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5270 6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 -4.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4914 3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 3.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 3.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 4.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1012 4.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 4.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7137 2.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8997 2.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 4.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 1.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -4.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -4.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8607 -7.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 -7.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 -0.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4738 0.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 0.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0075 -5.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -5.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -7.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -7.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 1.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6233 -0.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1431 -1.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 1.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 5.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2513 3.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0125 3.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8339 5.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2485 5.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 2.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 5.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 4.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 5.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 4.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3290 3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2682 5.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4285 5.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3677 6.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 6.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9478 6.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 43 1 0 0 0 0 2 23 1 0 0 0 0 2 42 1 0 0 0 0 3 24 2 0 0 0 0 4 33 2 0 0 0 0 5 42 2 0 0 0 0 6 43 2 0 0 0 0 7 51 1 0 0 0 0 7101 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 8 68 1 0 0 0 0 9 33 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 30 10 1 6 0 0 0 10 43 1 0 0 0 0 10 85 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 86 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 26 2 0 0 0 0 14 16 1 0 0 0 0 14 27 2 0 0 0 0 15 16 1 0 0 0 0 15 28 2 0 0 0 0 16 29 2 0 0 0 0 17 20 1 1 0 0 0 17 23 1 0 0 0 0 17 58 1 0 0 0 0 18 21 1 1 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 25 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 33 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 34 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 25 31 1 0 0 0 0 25 39 2 0 0 0 0 26 35 1 0 0 0 0 26 71 1 0 0 0 0 27 36 1 0 0 0 0 27 72 1 0 0 0 0 28 37 1 0 0 0 0 28 73 1 0 0 0 0 29 38 1 0 0 0 0 29 74 1 0 0 0 0 30 32 1 0 0 0 0 30 42 1 0 0 0 0 30 75 1 0 0 0 0 31 40 1 0 0 0 0 31 44 2 0 0 0 0 32 41 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 34 41 2 0 0 0 0 34 78 1 0 0 0 0 35 37 2 0 0 0 0 35 79 1 0 0 0 0 36 38 2 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 40 47 2 0 0 0 0 41 84 1 0 0 0 0 44 48 1 0 0 0 0 44 87 1 0 0 0 0 45 50 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 51 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 49 1 0 0 0 0 47 92 1 0 0 0 0 48 49 2 0 0 0 0 48 93 1 0 0 0 0 49 94 1 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 52 54 1 0 0 0 0 52 97 1 0 0 0 0 53 55 2 0 0 0 0 53 98 1 0 0 0 0 54 56 2 0 0 0 0 54 99 1 0 0 0 0 55 56 1 0 0 0 0 55100 1 0 0 0 0 56102 1 0 0 0 0 M END > 44201929 > 1 > 1330 > 7 > 4 > 12 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAeIAAAAwYMGAAAAAAHgB9AAAHgAQCAAADSjhngY8yPPJlgCoAzX3XACCgCAxAiAI2aG4ZJkKMPLAkbGPIAhk1gHYyAed0PIOgAAAAAASAAAAAAAAACQAAQAACAAAAA== > 9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-3-(1H-indol-3-ylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate > N-[(3R,6R,8Z,11S)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-3-(1H-indol-3-ylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester > 9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-3-(1H-indol-3-ylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate > 9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-3-(1H-indol-3-ylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate > 9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-(1H-indol-3-ylmethyl)-5,12-bis(oxidanylidene)-1-oxa-4-azacyclododec-8-en-11-yl]carbamate > N-[(3R,6R,8Z,11S)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]-3-(1H-indol-3-ylmethyl)-5,12-diketo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester > InChI=1S/C45H46N4O7/c50-23-22-49(27-30-12-2-1-3-13-30)42(51)25-31-14-4-10-21-41(44(53)55-28-33(47-43(31)52)24-32-26-46-40-20-11-9-15-34(32)40)48-45(54)56-29-39-37-18-7-5-16-35(37)36-17-6-8-19-38(36)39/h1-13,15-20,26,31,33,39,41,46,50H,14,21-25,27-29H2,(H,47,52)(H,48,54)/b10-4-/t31-,33-,41+/m1/s1 > HRLWGJCFIVNEJR-UEPPOXAYSA-N > 5.8 > 754.33664982 > C45H46N4O7 > 754.9 > C1C=CCC(C(=O)OCC(NC(=O)C1CC(=O)N(CCO)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57 > C1/C=C\C[C@@H](C(=O)OC[C@H](NC(=O)[C@H]1CC(=O)N(CCO)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57 > 150 > 754.33664982 > 0 > 56 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 30 10 6 11 39 8 11 40 8 13 15 8 13 26 8 14 16 8 14 27 8 15 28 8 16 29 8 17 20 5 18 21 5 25 31 8 25 39 8 26 35 8 27 36 8 28 37 8 29 38 8 31 40 8 31 44 8 35 37 8 36 38 8 40 47 8 44 48 8 47 49 8 48 49 8 50 52 8 50 53 8 52 54 8 53 55 8 54 56 8 55 56 8 $$$$