11764719 RDKit 3D 95 96 0 0 1 0 0 0 0 0999 V2000 0.9833 0.9341 -0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 -1.3412 2.6283 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 0.1155 0.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -6.8848 -2.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -2.1743 1.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.1580 1.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.1759 -1.4506 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 0.1371 0.9439 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 1.9249 -2.8754 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2068 0.4563 6.9518 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 -0.2434 2.1842 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5046 4.0124 -0.7557 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7365 4.4047 -0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9856 4.2377 1.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 0.5208 2.2761 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5817 -0.9294 -0.5838 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0914 0.5617 3.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 -1.9084 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7657 1.6889 4.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.0565 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 -3.2473 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -0.3129 2.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.5588 4.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 1.1123 -2.0736 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4993 -0.7813 0.3112 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6651 0.3268 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -3.4523 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 -4.3031 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 1.9121 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 0.3609 5.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -0.1418 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 3.1944 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8465 -4.6750 -2.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -5.5199 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -2.3980 -3.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 -4.1777 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -5.6911 -2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -1.1725 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 0.1830 -2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 3.7500 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -0.8362 -2.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 1.5163 -2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -0.5247 -3.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 1.8227 -3.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 0.8014 -4.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6433 4.2012 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 1.5355 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 -1.4631 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -0.4061 4.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 0.7433 3.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 -2.0855 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.4519 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 2.6436 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 1.7583 5.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 -0.9504 1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 1.5197 3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 2.4784 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 0.3507 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 0.3478 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 -1.6966 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9849 0.6906 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 1.2695 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 2.1830 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8133 0.3255 5.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 -0.5781 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -0.8101 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6905 0.7731 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 3.0023 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8928 3.9547 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 -4.8235 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -6.3419 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 -1.7278 -3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.8226 -4.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 -2.8530 -4.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -3.3091 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 -4.0824 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -5.0556 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 2.4667 -3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 2.6180 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 3.0209 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0117 4.6801 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 1.2537 7.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -0.3694 7.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 -1.8788 -2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2758 2.3272 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 -0.5733 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 0.3912 2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -6.8055 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 -1.3207 -4.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 2.8583 -3.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 1.0442 -4.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4619 4.5412 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 5.1885 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 3.7890 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2772 3.9093 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 2 22 2 0 3 26 2 0 4 37 1 0 4 88 1 0 5 38 2 0 15 6 1 0 6 20 1 0 6 55 1 0 16 7 1 0 7 26 1 0 7 58 1 0 8 22 1 0 25 8 1 0 8 61 1 0 24 9 1 0 9 78 1 0 9 79 1 0 10 30 1 0 10 82 1 0 10 83 1 0 11 38 1 0 11 86 1 0 11 87 1 0 12 40 1 0 12 46 2 3 13 46 1 0 13 92 1 0 13 93 1 0 14 46 1 0 14 94 1 0 14 95 1 0 15 17 1 0 15 22 1 0 15 47 1 6 16 18 1 0 16 20 1 0 16 48 1 1 17 19 1 0 17 49 1 0 17 50 1 0 18 21 1 0 18 51 1 0 18 52 1 0 19 23 1 0 19 53 1 0 19 54 1 0 21 27 2 0 21 28 1 0 23 30 1 0 23 56 1 0 23 57 1 0 24 26 1 0 24 29 1 0 24 59 1 6 25 31 1 0 25 38 1 0 25 60 1 6 27 33 1 0 27 35 1 0 28 34 2 0 28 36 1 0 29 32 1 0 29 62 1 0 29 63 1 0 30 64 1 0 30 65 1 0 31 39 1 0 31 66 1 0 31 67 1 0 32 40 1 0 32 68 1 0 32 69 1 0 33 37 2 0 33 70 1 0 34 37 1 0 34 71 1 0 35 72 1 0 35 73 1 0 35 74 1 0 36 75 1 0 36 76 1 0 36 77 1 0 39 41 2 0 39 42 1 0 40 80 1 0 40 81 1 0 41 43 1 0 41 84 1 0 42 44 2 0 42 85 1 0 43 45 2 0 43 89 1 0 44 45 1 0 44 90 1 0 45 91 1 0 M END > (1) 11764719 > (1) 1 > (1) 990 > (1) 8 > (1) 9 > (1) 19 > (1) AAADcfB/+AAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADCzBmAQzBoLAAgCoAiFSNAACAAEgIAAIiIGOCIgIZjKCkTOUcAAk1hGImAeYyfCOoAADAAAQAABAAAYAACAAAAAAAAAAAA== > (1) (2S)-6-amino-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S)-2-[[(2R)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]hexanamide > (1) (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide > (1) (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide > (1) (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide > (1) (2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide > (1) (2S)-6-amino-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[[(2S)-2-[[(2R)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]hexanamide > (1) InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1 > (1) SFVLTCAESLKEHH-WKAQUBQDSA-N > (1) 0 > (1) 639.38566570 > (1) C32H49N9O5 > (1) 639.8 > (1) CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N)C)O > (1) CC1=CC(=CC(=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CCCN=C(N)N)N)C)O > (1) 267 > (1) 639.38566570 > (1) 0 > (1) 46 > (1) 4 > (1) 0 > (1) 0 > (1) 0 > (1) 0 > (1) 1 > (1) -1 > (1) 1 5 255 > (1) 21 27 8 21 28 8 27 33 8 28 34 8 33 37 8 34 37 8 39 41 8 39 42 8 41 43 8 42 44 8 43 45 8 44 45 8 15 6 6 16 7 5 25 8 5 24 9 6 $$$$