70685570 -OEChem-05042411082D 83 86 0 1 0 0 0 0 0999 V2000 11.6140 -0.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3068 -4.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 -0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1243 4.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 2.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 4.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 3.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -1.5282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2353 0.9109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 -5.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5960 -3.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9496 -2.4787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9711 -2.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 -3.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9031 0.1666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7143 -3.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5925 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7143 -4.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2441 -4.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6175 -3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 1.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -3.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -5.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2568 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -3.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -4.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5244 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1708 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6104 1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8351 3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4815 2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8136 3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9426 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 4.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 4.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 3.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 5.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 5.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 4.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5356 -2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9506 -2.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3573 -2.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0957 0.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8670 -1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9022 -0.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4954 0.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 -4.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4279 1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8531 -5.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -6.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1153 1.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3577 2.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 -3.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 -5.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9178 1.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 1.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0841 0.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 0.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0101 -3.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7886 -2.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4210 3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0881 2.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 1.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7310 4.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 3.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 1.7296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 4.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 5.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 5.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 4.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 6.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 6.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 5.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 2 0 0 0 0 3 26 2 0 0 0 0 4 35 1 0 0 0 0 4 72 1 0 0 0 0 5 36 2 0 0 0 0 6 40 1 0 0 0 0 6 45 1 0 0 0 0 7 45 2 0 0 0 0 13 8 1 6 0 0 0 8 19 1 0 0 0 0 8 51 1 0 0 0 0 16 9 1 1 0 0 0 9 26 1 0 0 0 0 9 55 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 56 1 0 0 0 0 11 22 1 0 0 0 0 11 67 1 0 0 0 0 11 68 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 20 25 2 0 0 0 0 21 54 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 57 1 0 0 0 0 25 29 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 32 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 33 1 0 0 0 0 30 63 1 0 0 0 0 31 34 2 0 0 0 0 31 64 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 41 1 0 0 0 0 38 73 1 0 0 0 0 39 42 2 0 0 0 0 39 74 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 46 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 46 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 M END > 70685570 > 1 > 1040 > 7 > 6 > 16 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzBngQ+zvLJlgCoAzX3XACCiCAxIiAI2aG+bJgMZvLGsbuWeijk1hHI+Ae9yeCOoEAAAAACAABAgAAAAAQAAAAAAAAAAA== > [4-[[4-[[(1S)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]phenyl] butanoate > butanoic acid [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutyl]amino]phenyl] ester > [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]phenyl] butanoate > [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]phenyl] butanoate > [4-[[4-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]phenyl] butanoate > butyric acid [4-[[4-[[(1S)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butanoyl]amino]phenyl] ester > InChI=1S/C34H37N5O7/c1-2-5-32(43)46-25-14-10-23(11-15-25)37-30(41)16-17-31(42)38-29(18-21-8-12-24(40)13-9-21)34(45)39-28(33(35)44)19-22-20-36-27-7-4-3-6-26(22)27/h3-4,6-15,20,28-29,36,40H,2,5,16-19H2,1H3,(H2,35,44)(H,37,41)(H,38,42)(H,39,45)/t28-,29-/m0/s1 > WQIYLWMERSDMCX-VMPREFPWSA-N > 2.6 > 627.26929854 > C34H37N5O7 > 627.7 > CCCC(=O)OC1=CC=C(C=C1)NC(=O)CCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N > CCCC(=O)OC1=CC=C(C=C1)NC(=O)CCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N > 193 > 627.26929854 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 8 10 21 8 15 17 8 15 21 8 17 20 8 17 24 8 20 25 8 23 30 8 23 31 8 24 28 8 25 29 8 28 29 8 30 33 8 31 34 8 33 35 8 34 35 8 37 38 8 37 39 8 38 41 8 39 42 8 40 41 8 40 42 8 13 8 6 16 9 5 $$$$