Mrv1652309092202362D 35 35 0 0 1 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 2.6845 1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 2.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 1.1630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 0.8506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2117 1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 -0.0863 0.0000 N 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 4.4343 -0.2791 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 1 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 1.7139 -1.4822 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 1.6026 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -1.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.3525 0.0000 N 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 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 4 0 0 0 17 18 1 0 0 0 0 18 19 1 4 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 4 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 12 1 4 0 0 0 M END > NP0276465 > NP-MRD > CC(C)CCCCCCCCC1CC(O)=NCC(O)=N[C@@H](CCCN)C(O)=N[C@@H](C(C)C)C(O)=N1 > InChI=1S/C26H49N5O4/c1-18(2)12-9-7-5-6-8-10-13-20-16-22(32)28-17-23(33)30-21(14-11-15-27)25(34)31-24(19(3)4)26(35)29-20/h18-21,24H,5-17,27H2,1-4H3,(H,28,32)(H,29,35)(H,30,33)(H,31,34)/t20?,21-,24-/m0/s1 > SCHMCJIVWBGMAV-AVJWOPLCSA-N > C26H49N5O4 > 495.709 > 495.378455078 > 9 > 84 > 58.582419725350555 > 1 > 5 > 0 > 0 > (3S,6S)-6-(3-aminopropyl)-13-(9-methyldecyl)-3-(propan-2-yl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol > -4.516955252145216 > 0 > 1 > 1 > -6.269074507833587 > -9.250836104283234 > 15.281641226037765 > 156.38 > 138.9942 > 13 > 1 > (3S,6S)-6-(3-aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol > 0 > NP0276465 > (3s,6s)-6-(3-aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol $$$$