70853360 -OEChem-04252403222D 123129 0 1 0 0 0 0 0999 V2000 8.0377 -1.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -4.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -4.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -4.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 0.2762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -3.1062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6459 2.8520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -2.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 3.3374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3589 6.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 4.8414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 7.1373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -3.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 -0.9183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -0.3102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2809 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2297 -1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7487 1.8573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9386 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -3.8505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6615 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4716 2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 4.2550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 4.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -3.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 3.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6146 5.6580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4162 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -5.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4724 3.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -2.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -4.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 6.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0040 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8229 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -5.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9985 2.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9537 7.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -3.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 -0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8174 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4052 1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 -7.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 0.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 -0.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 -1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6074 0.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1827 2.1104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -2.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -3.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3139 0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1068 1.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1481 3.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -4.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -5.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 4.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 4.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1930 5.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 3.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -2.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3567 -3.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 6.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 5.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8394 -0.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2462 -1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6081 3.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 6.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 5.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 4.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4585 0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8590 -1.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4523 -1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8099 -4.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 -6.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 7.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3629 2.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1286 0.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5353 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 0.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0218 1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 -5.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 -7.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6540 0.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8964 0.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 -7.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6097 -3.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3883 -2.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4022 -0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6029 -1.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 25 2 0 0 0 0 3 28 2 0 0 0 0 4 39 2 0 0 0 0 5 40 2 0 0 0 0 6 58 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 19 8 1 1 0 0 0 8 28 1 0 0 0 0 8 74 1 0 0 0 0 9 25 1 0 0 0 0 30 9 1 6 0 0 0 9 76 1 0 0 0 0 27 10 1 6 0 0 0 10 40 1 0 0 0 0 10 81 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 82 1 0 0 0 0 12 39 1 0 0 0 0 46 12 1 1 0 0 0 12 92 1 0 0 0 0 13 45 1 0 0 0 0 13 49 1 0 0 0 0 13100 1 0 0 0 0 14 41 1 0 0 0 0 14 57 1 0 0 0 0 14101 1 0 0 0 0 36 15 1 6 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 16 48 1 0 0 0 0 16 57 2 0 0 0 0 17 58 1 0 0 0 0 17120 1 0 0 0 0 17121 1 0 0 0 0 18 64 1 0 0 0 0 18122 1 0 0 0 0 18123 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 66 1 0 0 0 0 20 21 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 22 71 1 0 0 0 0 24 26 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 26 29 1 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 75 1 0 0 0 0 29 33 1 0 0 0 0 29 37 2 0 0 0 0 30 34 1 0 0 0 0 30 39 1 0 0 0 0 30 77 1 0 0 0 0 31 35 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 33 43 2 0 0 0 0 34 44 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 42 1 0 0 0 0 35 45 2 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 36 85 1 0 0 0 0 37 47 1 0 0 0 0 37 88 1 0 0 0 0 38 41 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 41 48 1 0 0 0 0 41 89 1 0 0 0 0 42 49 1 0 0 0 0 42 52 2 0 0 0 0 43 50 1 0 0 0 0 43 90 1 0 0 0 0 44 54 2 0 0 0 0 44 55 1 0 0 0 0 45 91 1 0 0 0 0 46 51 1 0 0 0 0 46 58 1 0 0 0 0 46 93 1 0 0 0 0 47 50 2 0 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 56 2 0 0 0 0 50 97 1 0 0 0 0 51 53 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 52 60 1 0 0 0 0 52104 1 0 0 0 0 53 59 1 0 0 0 0 53105 1 0 0 0 0 53106 1 0 0 0 0 54 62 1 0 0 0 0 54107 1 0 0 0 0 55 63 2 0 0 0 0 55108 1 0 0 0 0 56 61 1 0 0 0 0 56110 1 0 0 0 0 57109 1 0 0 0 0 59 64 1 0 0 0 0 59111 1 0 0 0 0 59112 1 0 0 0 0 60 61 2 0 0 0 0 60113 1 0 0 0 0 61114 1 0 0 0 0 62 65 2 0 0 0 0 62115 1 0 0 0 0 63 65 1 0 0 0 0 63116 1 0 0 0 0 64117 1 0 0 0 0 64118 1 0 0 0 0 65119 1 0 0 0 0 M END > 70853360 > 1 > 1680 > 9 > 10 > 22 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLFiAAwYMAAAAAAAFgB/gAAHgAQAAAADCjBngQ9wPPJkACoAzV3dACCgCExAiAJ2aG4ZJgIYPLA2bGUIAhglgDIyAccicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-oxo-pyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide > (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-oxo-1-pyrrolidinyl]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide > (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-oxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide > (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-oxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide > (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-azanyl-3-(4,5-dihydro-1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide > (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(3R)-3-[[(2R)-2-[[(2S)-2-amino-3-(2-imidazolin-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-keto-pyrrolidino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide > InChI=1S/C47H58N12O6/c48-18-9-8-16-37(42(50)60)55-44(62)39(20-28-10-2-1-3-11-28)58-46(64)41(22-30-25-53-36-15-7-5-13-33(30)36)59-19-17-38(47(59)65)56-45(63)40(21-29-24-52-35-14-6-4-12-32(29)35)57-43(61)34(49)23-31-26-51-27-54-31/h1-7,10-15,24-25,27,31,34,37-41,52-53H,8-9,16-23,26,48-49H2,(H2,50,60)(H,51,54)(H,55,62)(H,56,63)(H,57,61)(H,58,64)/t31?,34-,37-,38+,39-,40+,41-/m0/s1 > GGLPBCCIUQZHFF-DYKZFZDASA-N > 1.2 > 886.46022762 > C47H58N12O6 > 887.0 > C1CN(C(=O)C1NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4CN=CN4)N)C(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CCCCN)C(=O)N > C1CN(C(=O)[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4CN=CN4)N)[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N > 288 > 886.46022762 > 0 > 65 > 6 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 10 6 11 32 8 11 33 8 46 12 5 13 45 8 13 49 8 36 15 6 22 25 6 26 29 8 26 32 8 29 33 8 29 37 8 33 43 8 35 42 8 35 45 8 37 47 8 41 38 3 42 49 8 42 52 8 43 50 8 44 54 8 44 55 8 47 50 8 49 56 8 52 60 8 54 62 8 55 63 8 56 61 8 60 61 8 62 65 8 63 65 8 19 8 5 30 9 6 $$$$