71491551 -OEChem-04182417062D 122124 0 1 0 0 0 0 0999 V2000 7.3996 -1.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 -2.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7603 -5.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6817 4.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 3.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 6.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 5.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8599 8.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -0.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -3.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4032 -3.6981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 1.7182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -5.3881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 3.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 -4.9805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 -8.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 2.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6278 -1.9227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2742 -2.4608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9850 -3.6175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 -2.6219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0639 0.0234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0424 0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -3.9043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1140 -4.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -3.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7818 -5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7103 -0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 -6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4049 -4.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 -4.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0710 -4.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3602 -3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 -7.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -5.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3387 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 4.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1430 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6493 -2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 4.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 3.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 5.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 5.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 7.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2171 6.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2957 -2.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 7.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -0.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -2.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 -4.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 -4.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7314 -5.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 -1.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5857 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 -5.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1644 -5.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 0.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 1.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 1.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -0.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -0.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -3.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9242 -6.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 -7.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -4.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 1.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 -4.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -5.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3396 -2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7464 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6859 -7.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5216 -6.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 1.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 1.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -6.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 -3.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9525 -3.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -3.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 4.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 3.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -5.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3240 -4.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5247 -5.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6288 -1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0355 -2.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 4.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2311 4.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2424 -8.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 -8.3723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6534 6.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3205 5.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 7.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 7.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 6.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6883 -2.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4668 -1.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3991 -4.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3784 -3.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 8.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 30 2 0 0 0 0 3 32 2 0 0 0 0 4 41 2 0 0 0 0 5 46 2 0 0 0 0 6 54 2 0 0 0 0 7 56 1 0 0 0 0 7117 1 0 0 0 0 8 56 2 0 0 0 0 9 62 1 0 0 0 0 9122 1 0 0 0 0 23 10 1 6 0 0 0 10 28 1 0 0 0 0 10 71 1 0 0 0 0 22 11 1 1 0 0 0 11 30 1 0 0 0 0 11 72 1 0 0 0 0 26 12 1 1 0 0 0 12 41 1 0 0 0 0 12 81 1 0 0 0 0 13 32 1 0 0 0 0 37 13 1 1 0 0 0 13 86 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 88 1 0 0 0 0 15 46 1 0 0 0 0 50 15 1 6 0 0 0 15101 1 0 0 0 0 40 16 1 6 0 0 0 16103 1 0 0 0 0 16104 1 0 0 0 0 17 43 1 0 0 0 0 17109 1 0 0 0 0 17110 1 0 0 0 0 18 54 1 0 0 0 0 18111 1 0 0 0 0 18112 1 0 0 0 0 19 52 1 0 0 0 0 19 61 2 0 0 0 0 20 61 1 0 0 0 0 20118 1 0 0 0 0 20119 1 0 0 0 0 21 61 1 0 0 0 0 21120 1 0 0 0 0 21121 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 64 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 65 1 0 0 0 0 25 29 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 29 33 1 0 0 0 0 29 38 2 0 0 0 0 31 36 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 33 39 1 0 0 0 0 33 44 2 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 43 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 45 1 0 0 0 0 37 46 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 47 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 87 1 0 0 0 0 42 48 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 49 1 0 0 0 0 44 93 1 0 0 0 0 45 54 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 47 51 1 0 0 0 0 47 96 1 0 0 0 0 48 52 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 49 51 2 0 0 0 0 49 99 1 0 0 0 0 50 53 1 0 0 0 0 50 56 1 0 0 0 0 50100 1 0 0 0 0 51102 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 53 55 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 55 57 2 0 0 0 0 55 58 1 0 0 0 0 57 59 1 0 0 0 0 57113 1 0 0 0 0 58 60 2 0 0 0 0 58114 1 0 0 0 0 59 62 2 0 0 0 0 59115 1 0 0 0 0 60 62 1 0 0 0 0 60116 1 0 0 0 0 M END > 71491551 > 1 > 1540 > 12 > 13 > 26 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzBngQ/zvLJkgCoAzX3fACCgCExIiAI2aG+bJgKZvrC0bOUcAhk1hHY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid > InChI=1S/C41H60N12O9/c1-22(2)34(39(60)51-31(20-33(44)55)37(58)52-32(40(61)62)18-23-12-14-25(54)15-13-23)53-38(59)30(19-24-21-48-28-10-4-3-8-26(24)28)50-36(57)29(11-5-6-16-42)49-35(56)27(43)9-7-17-47-41(45)46/h3-4,8,10,12-15,21-22,27,29-32,34,48,54H,5-7,9,11,16-20,42-43H2,1-2H3,(H2,44,55)(H,49,56)(H,50,57)(H,51,60)(H,52,58)(H,53,59)(H,61,62)(H4,45,46,47)/t27-,29-,30-,31-,32-,34-/m0/s1 > RQUYZPBAZPZRCZ-WSCHZEODSA-N > -4.1 > 864.46062154 > C41H60N12O9 > 865.0 > CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N > CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N > 378 > 864.46062154 > 0 > 62 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 10 6 22 11 5 26 12 5 37 13 5 14 38 8 14 39 8 50 15 6 40 16 6 29 33 8 29 38 8 33 39 8 33 44 8 39 47 8 44 49 8 47 51 8 49 51 8 55 57 8 55 58 8 57 59 8 58 60 8 59 62 8 60 62 8 $$$$