Mrv1652309062203452D 65 65 0 0 0 0 999 V2000 9.5340 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 -0.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3525 -0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7109 -0.1262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 0.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 0.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 1.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 0.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 0.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -0.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 1.2074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0683 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4798 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3515 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -0.4225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -2.5711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -3.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -4.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -5.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -5.7568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 -2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 1.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 -1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6091 0.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0207 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 4 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 42 43 1 4 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 39 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 22 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 17 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 12 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 7 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 3 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 M END > NP0223609 > NP-MRD > CNC(C(C)C)C(O)=NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(O)=NCCCCN > InChI=1S/C49H87N9O7/c1-29(2)37(51-13)43(59)53-38(30(3)4)46(62)56(16)41(33(9)10)48(64)58(18)42(34(11)12)49(65)57(17)40(32(7)8)47(63)54(14)36(28-35-24-20-19-21-25-35)45(61)55(15)39(31(5)6)44(60)52-27-23-22-26-50/h19-21,24-25,29-34,36-42,51H,22-23,26-28,50H2,1-18H3,(H,52,60)(H,53,59) > DLIXGMBBULNEEY-UHFFFAOYSA-N > C49H87N9O7 > 914.291 > 913.672846177 > 11 > 152 > 103.64245384123342 > 0 > 4 > 0 > 0 > N-(4-aminobutyl)-2-[2-(2-{2-[2-(2-{[1-hydroxy-3-methyl-2-(methylamino)butylidene]amino}-N,3-dimethylbutanamido)-N,3-dimethylbutanamido]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-N-methyl-3-phenylpropanamido]-3-methylbutanimidic acid > 0.8211199216443396 > 0 > 1 > 2 > 3.707940616912559 > 3.042395971825233 > 10.222963199703987 > 204.78 > 257.35450000000014 > 26 > 0 > N-(4-aminobutyl)-2-[2-(2-{2-[2-(2-{[1-hydroxy-3-methyl-2-(methylamino)butylidene]amino}-N,3-dimethylbutanamido)-N,3-dimethylbutanamido]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-N-methyl-3-phenylpropanamido]-3-methylbutanimidic acid > 0 > NP0223609 > n-(4-aminobutyl)-2-[2-(2-{2-[2-(2-{[1-hydroxy-3-methyl-2-(methylamino)butylidene]amino}-n,3-dimethylbutanamido)-n,3-dimethylbutanamido]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-n-methyl-3-phenylpropanamido]-3-methylbutanimidic acid $$$$