70683451 -OEChem-05052412502D 83 86 0 1 0 0 0 0 0999 V2000 7.2566 0.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 6.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -3.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -5.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 -3.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.1379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.6265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.1712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 5.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -2.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -4.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -3.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2027 -5.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -4.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 -6.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -1.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 1.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -1.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -1.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 3.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 2.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 5.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -1.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 6.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7454 -2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 -3.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8274 -3.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7389 -5.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6979 -6.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4555 -6.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7291 -5.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9715 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4091 -6.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2846 -6.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3320 -5.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 36 1 0 0 0 0 4 72 1 0 0 0 0 5 33 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 1 0 0 0 8 23 1 0 0 0 0 8 51 1 0 0 0 0 9 17 1 0 0 0 0 18 9 1 6 0 0 0 9 53 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 56 1 0 0 0 0 11 27 1 0 0 0 0 11 67 1 0 0 0 0 11 68 1 0 0 0 0 12 33 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 17 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 16 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 18 50 1 0 0 0 0 19 24 2 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 28 1 0 0 0 0 22 57 1 0 0 0 0 23 26 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 30 1 0 0 0 0 26 59 1 0 0 0 0 26 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 30 64 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 32 35 2 0 0 0 0 32 66 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 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 > 70683451 > 1 > 1040 > 7 > 6 > 16 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzBngQ+zvLJlgCoAzX3XACCiCAxIiAI2aG+bJgMZvLGsbuWeijk1hHI+Ae9yeCOoEAAAAACAABAgAAAAAQAAAAAAAAAAA== > [4-[[4-[[(1S)-2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]phenyl] butanoate > butanoic acid [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutyl]amino]phenyl] ester > [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]phenyl] butanoate > [4-[[4-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]phenyl] butanoate > [4-[[4-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]phenyl] butanoate > butyric acid [4-[[4-[[(1S)-2-[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-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(19-22-20-36-27-7-4-3-6-26(22)27)34(45)39-28(33(35)44)18-21-8-12-24(40)13-9-21/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 > JXWZPSPIJGIVDN-VMPREFPWSA-N > 2.6 > 627.26929854 > C34H37N5O7 > 627.7 > CCCC(=O)OC1=CC=C(C=C1)NC(=O)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N > CCCC(=O)OC1=CC=C(C=C1)NC(=O)CCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N > 193 > 627.26929854 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 8 10 20 8 15 16 8 15 20 8 16 19 8 16 22 8 19 24 8 22 28 8 24 29 8 25 31 8 25 32 8 28 29 8 31 34 8 32 35 8 34 36 8 35 36 8 37 38 8 37 39 8 38 41 8 39 42 8 40 41 8 40 42 8 13 8 5 18 9 6 $$$$