Mrv1533004241513562D 72 72 0 0 0 0 999 V2000 -6.4663 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0373 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6084 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8939 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1795 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 2.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 1.7715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 3.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 4.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 4.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 2.4856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 2.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1141 4.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6413 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5162 2.3661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1685 2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 3.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 4.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 5.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9321 2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5843 3.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0434 1.7414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8070 1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4593 1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3479 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9183 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 0.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2661 0.1065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5025 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3774 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0297 -0.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4887 -1.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 -0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -0.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 0.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 -0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 -1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4206 -2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -0.4719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -0.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 -1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -1.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.3525 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 17 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 26 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 34 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 42 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 49 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 57 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 65 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 12 72 1 0 0 0 0 M END > NP0290511 > NP-MRD > CC(C)CCCCCCCCC1CC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1 > InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64) > DDULCZLFAKVKJB-UHFFFAOYSA-N > C52H91N7O13 > 1022.336 > 1021.667486018 > 12 > 163 > 113.95235282851081 > 0 > 9 > 0 > 0 > 3-[9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid > 2.71 > 5.796896187 > -5.19 > 0 > 1 > -2 > 4.39046674644718 > 3.754502027745514 > 304.59999999999997 > 267.4501000000002 > 23 > 0 > 6.68e-03 g/l > 3-[9-(carboxymethyl)-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid > 0 > NP0290511 > 3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid $$$$