71362913 -OEChem-04252409592D 129132 0 1 0 0 0 0 0999 V2000 11.2637 -3.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2743 -4.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6126 -6.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -2.7147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9966 -4.9686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.3828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5921 -7.5465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 1.0874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 4.3159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 5.5532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2948 -3.3851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1617 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9555 -1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9612 -1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1886 -4.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.1766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2171 -1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8903 -5.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1957 -1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9761 -6.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6983 -6.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8698 -7.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1681 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 4.5221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1886 3.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 6.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 7.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 6.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 4.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 6.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 7.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7156 -3.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4129 -3.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7517 -2.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5722 -1.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9566 -1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0911 -1.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3718 -1.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7139 -2.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 -0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 -1.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5634 -4.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3894 -5.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2162 -1.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8095 -1.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -2.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 -6.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4858 0.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8925 0.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2533 -7.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 -7.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4863 -7.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5334 -5.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 -5.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8028 -6.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5054 -0.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0986 0.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0930 -7.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0252 -7.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4022 1.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3814 1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 2.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 3.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 3.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 2.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 3.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 2.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 3.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 5.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 5.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 4.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 7.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 5.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 8.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 6.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 8.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 5.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3744 6.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7523 3.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 3.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 26 2 0 0 0 0 3 33 2 0 0 0 0 4 34 2 0 0 0 0 5 41 2 0 0 0 0 6 45 2 0 0 0 0 7 51 2 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 29 9 1 6 0 0 0 9 75 1 0 0 0 0 27 10 1 1 0 0 0 10 34 1 0 0 0 0 10 79 1 0 0 0 0 11 33 1 0 0 0 0 11 93 1 0 0 0 0 11 94 1 0 0 0 0 12 38 1 0 0 0 0 12 41 1 0 0 0 0 12 96 1 0 0 0 0 13 37 1 0 0 0 0 13 99 1 0 0 0 0 13100 1 0 0 0 0 39 14 1 6 0 0 0 14 45 1 0 0 0 0 14102 1 0 0 0 0 42 15 1 1 0 0 0 15 51 1 0 0 0 0 15108 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16109 1 0 0 0 0 52 17 1 1 0 0 0 17119 1 0 0 0 0 17120 1 0 0 0 0 18 53 1 0 0 0 0 18 61 2 0 0 0 0 19 61 1 0 0 0 0 19126 1 0 0 0 0 19127 1 0 0 0 0 20 61 1 0 0 0 0 20128 1 0 0 0 0 20129 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 1 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 72 1 0 0 0 0 28 30 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 29 76 1 0 0 0 0 30 32 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 80 1 0 0 0 0 32 37 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 34 38 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 95 1 0 0 0 0 40 43 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 42101 1 0 0 0 0 43 46 1 0 0 0 0 43 48 2 0 0 0 0 44 47 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 46 49 1 0 0 0 0 46 50 2 0 0 0 0 47 53 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 48107 1 0 0 0 0 49 54 2 0 0 0 0 50 56 1 0 0 0 0 50110 1 0 0 0 0 51 52 1 0 0 0 0 52 55 1 0 0 0 0 52111 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54 57 1 0 0 0 0 54114 1 0 0 0 0 55 58 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 56 57 2 0 0 0 0 56117 1 0 0 0 0 57118 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 59121 1 0 0 0 0 60 63 2 0 0 0 0 60122 1 0 0 0 0 62 64 2 0 0 0 0 62123 1 0 0 0 0 63 64 1 0 0 0 0 63124 1 0 0 0 0 64125 1 0 0 0 0 M END > 71362913 > 1 > 1600 > 10 > 11 > 25 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHgAQAAAADSjBngQ/wPPJkACoAzV3dACCgCExAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide > (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoyl]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-2-carboxamide > InChI=1S/C44H65N13O7/c1-26(2)37(38(47)59)56-42(63)35-18-11-21-57(35)43(64)33(16-8-9-19-45)53-36(58)25-52-40(61)34(23-28-24-51-31-15-7-6-14-29(28)31)55-41(62)32(17-10-20-50-44(48)49)54-39(60)30(46)22-27-12-4-3-5-13-27/h3-7,12-15,24,26,30,32-35,37,51H,8-11,16-23,25,45-46H2,1-2H3,(H2,47,59)(H,52,61)(H,53,58)(H,54,60)(H,55,62)(H,56,63)(H4,48,49,50)/t30-,32-,33-,34-,35-,37-/m0/s1 > QHONSXVTXMBDTM-JRCROSFVSA-N > -0.5 > 887.51299146 > C44H65N13O7 > 888.1 > CC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC4=CC=CC=C4)N > CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=CC=C4)N > 341 > 887.51299146 > 0 > 64 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 10 5 39 14 6 42 15 5 16 48 8 16 49 8 52 17 5 21 26 5 43 46 8 43 48 8 46 49 8 46 50 8 49 54 8 50 56 8 54 57 8 56 57 8 58 59 8 58 60 8 59 62 8 60 63 8 62 64 8 63 64 8 29 9 6 $$$$