70423111 -OEChem-05082411082D 116120 0 1 0 0 0 0 0999 V2000 9.1991 1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6207 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -2.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 -0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 2.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6278 -5.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 -3.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 2.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1740 4.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 0.4350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9564 -2.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 -4.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 -6.6714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 2.8741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1811 -0.4350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 -1.2598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2456 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9134 -1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 1.1793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5992 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3136 -3.9052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8919 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3351 -4.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6243 -2.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 -5.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8884 0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5527 2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1776 1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9713 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3838 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9599 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 3.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 4.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8384 5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6063 -4.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2741 -5.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8169 5.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 6.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1275 6.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4812 7.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2526 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9635 -6.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4597 7.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9205 -6.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6313 -7.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6098 -7.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6604 -1.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7719 -0.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -0.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3871 -2.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1447 -2.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3497 -2.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9203 -3.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -2.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5058 -1.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -3.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 -4.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 0.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2971 1.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 -0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5888 -0.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7888 -5.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 -5.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -7.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -4.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 3.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2839 1.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7628 2.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0282 2.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 2.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8435 3.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3647 2.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7771 0.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5116 0.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9905 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5683 2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -7.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3737 0.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5952 -0.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -5.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -6.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 3.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 0.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 4.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 4.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1327 -4.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3750 -4.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 5.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5638 6.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7342 6.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 7.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4453 -4.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 -6.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6523 8.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5272 -6.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4387 -8.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0239 -7.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 32 1 0 0 0 0 2 20 2 0 0 0 0 3 25 2 0 0 0 0 4 27 2 0 0 0 0 5 28 2 0 0 0 0 6 42 1 0 0 0 0 6 51 1 0 0 0 0 7 42 2 0 0 0 0 8 48 1 0 0 0 0 8106 1 0 0 0 0 9 47 2 0 0 0 0 19 10 1 1 0 0 0 10 20 1 0 0 0 0 10 27 1 0 0 0 0 16 11 1 6 0 0 0 11 25 1 0 0 0 0 11 69 1 0 0 0 0 21 12 1 1 0 0 0 12 42 1 0 0 0 0 12 79 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 81 1 0 0 0 0 14 28 1 0 0 0 0 14 47 1 0 0 0 0 14 83 1 0 0 0 0 15 29 1 0 0 0 0 15 96 1 0 0 0 0 15 97 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 24 1 0 0 0 0 19 28 1 0 0 0 0 19 68 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 70 1 0 0 0 0 22 29 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 26 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 31 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 26 30 1 0 0 0 0 26 34 2 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 33 1 0 0 0 0 30 35 2 0 0 0 0 31 39 2 0 0 0 0 31 40 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 33 41 2 0 0 0 0 34 80 1 0 0 0 0 35 43 1 0 0 0 0 35 82 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 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 45 1 0 0 0 0 39 93 1 0 0 0 0 40 46 2 0 0 0 0 40 94 1 0 0 0 0 41 44 1 0 0 0 0 41 95 1 0 0 0 0 43 44 2 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 45 48 2 0 0 0 0 45100 1 0 0 0 0 46 48 1 0 0 0 0 46101 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 53 2 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 52 57 2 0 0 0 0 52 58 1 0 0 0 0 53 55 1 0 0 0 0 53107 1 0 0 0 0 54 56 2 0 0 0 0 54108 1 0 0 0 0 55 59 2 0 0 0 0 55109 1 0 0 0 0 56 59 1 0 0 0 0 56110 1 0 0 0 0 57 60 1 0 0 0 0 57111 1 0 0 0 0 58 61 2 0 0 0 0 58112 1 0 0 0 0 59113 1 0 0 0 0 60 62 2 0 0 0 0 60114 1 0 0 0 0 61 62 1 0 0 0 0 61115 1 0 0 0 0 62116 1 0 0 0 0 M END > 70423111 > 1 > 1470 > 10 > 6 > 21 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADGzhngY+zvPJlgCoAzV3XACCgCAxIiAI2aG+bJkIZvLCtbuccAhk1jHI+AeYyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > tert-butyl N-[(2S)-6-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-N-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[(2-phenylacetyl)amino]ethyl]carbamate > N-[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxohexyl]-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[(1-oxo-2-phenylethyl)amino]propan-2-yl]carbamic acid tert-butyl ester > tert-butyl N-[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[(2-phenylacetyl)amino]propan-2-yl]carbamate > tert-butyl N-[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[(2-phenylacetyl)amino]propan-2-yl]carbamate > tert-butyl N-[(2S)-6-azanyl-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]-N-[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethanoylamino)propan-2-yl]carbamate > N-[(2S)-6-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-N-[(1S)-1-(4-hydroxybenzyl)-2-keto-2-[(2-phenylacetyl)amino]ethyl]carbamic acid tert-butyl ester > InChI=1S/C47H54N6O9/c1-47(2,3)62-46(60)53(40(26-32-21-23-35(54)24-22-32)43(57)52-41(55)27-31-14-6-4-7-15-31)44(58)38(20-12-13-25-48)50-42(56)39(28-34-29-49-37-19-11-10-18-36(34)37)51-45(59)61-30-33-16-8-5-9-17-33/h4-11,14-19,21-24,29,38-40,49,54H,12-13,20,25-28,30,48H2,1-3H3,(H,50,56)(H,51,59)(H,52,55,57)/t38-,39-,40-/m0/s1 > OSSYRYOEIJFKMO-MXVPUGLGSA-N > 6.1 > 846.39522732 > C47H54N6O9 > 847.0 > CC(C)(C)OC(=O)N(C(CC1=CC=C(C=C1)O)C(=O)NC(=O)CC2=CC=CC=C2)C(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5 > CC(C)(C)OC(=O)N([C@@H](CC1=CC=C(C=C1)O)C(=O)NC(=O)CC2=CC=CC=C2)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5 > 222 > 846.39522732 > 0 > 62 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 10 5 16 11 6 21 12 5 13 33 8 13 34 8 26 30 8 26 34 8 30 33 8 30 35 8 31 39 8 31 40 8 33 41 8 35 43 8 39 45 8 40 46 8 41 44 8 43 44 8 45 48 8 46 48 8 50 53 8 50 54 8 52 57 8 52 58 8 53 55 8 54 56 8 55 59 8 56 59 8 57 60 8 58 61 8 60 62 8 61 62 8 $$$$