Mrv1652307042106593D 94 96 0 0 0 0 999 V2000 -4.0733 3.0690 -2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 1.7559 -1.9734 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3332 1.7470 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9592 1.1068 -1.3935 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1909 1.7711 -0.3164 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1306 0.8978 0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -0.0710 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 0.2692 2.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -1.4670 1.2089 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1024 -1.5533 1.6129 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6269 -2.9329 1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -3.4272 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7304 -4.7345 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 -5.5365 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9767 -5.0150 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -3.7242 2.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -2.1746 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 -1.9521 -0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -2.0590 -2.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 -1.6042 -0.2108 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9617 -2.8772 0.1391 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1903 -3.7448 -1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -4.7213 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -5.5104 -2.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -5.3685 -3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -4.3946 -2.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 -3.5982 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -0.8424 -1.0827 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 0.4852 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 1.1220 -1.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 1.1244 0.4781 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8103 0.6217 1.1997 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1417 0.8450 0.5923 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3878 0.2315 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.2291 1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 2.5754 0.3369 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 3.4682 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 4.2369 -0.9673 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 3.6987 0.7226 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5239 4.8730 1.6531 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7472 5.2062 2.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 6.1226 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 3.9279 -0.2203 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 2.9304 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 2.9386 -2.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1519 3.3984 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 3.8819 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 3.1184 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 1.0283 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 2.5646 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3967 0.7417 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 1.9206 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 0.9286 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 0.0353 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 2.1280 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.1209 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.0081 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -1.1951 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.9762 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 -2.8763 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2184 -5.1528 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 -6.5478 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 -5.6026 3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -3.2648 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 -2.8747 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 -1.1219 0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 -3.4401 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -2.6364 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 -4.8945 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -6.2885 -2.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 -6.0271 -4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -4.2866 -3.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -2.8412 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 -1.3306 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.8522 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -0.4815 1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 1.0991 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3477 1.9478 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -0.5896 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 1.0530 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 -0.2155 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 0.6655 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -0.8579 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 0.4218 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6424 2.9836 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 2.8382 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 4.5932 2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 4.2820 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 5.8116 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 5.7669 3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 6.0507 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 6.9164 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 6.4926 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 4.9238 -0.3420 H 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 9 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 20 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 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 1 0 0 0 0 39 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 5 1 0 0 0 0 16 11 1 0 0 0 0 27 22 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 6 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 5 55 1 1 0 0 0 6 56 1 0 0 0 0 9 57 1 1 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 16 64 1 0 0 0 0 17 65 1 0 0 0 0 20 66 1 1 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 25 71 1 0 0 0 0 26 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 31 75 1 1 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 6 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 85 1 0 0 0 0 39 86 1 1 0 0 0 40 87 1 1 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 94 1 0 0 0 0 M END > NP0014033 > NP-MRD > [H]N1C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C35H49N5O5/c1-21(2)17-26-31(41)37-29(20-25-15-11-8-12-16-25)33(43)38-28(19-24-13-9-7-10-14-24)32(42)36-27(18-22(3)4)34(44)40-30(23(5)6)35(45)39-26/h7-16,21-23,26-30H,17-20H2,1-6H3,(H,36,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)/t26-,27-,28-,29-,30-/m1/s1 > GYBIEUKVACOKPM-XZTOTZIXSA-N > C35H49N5O5 > 619.807 > 619.373369698 > 5 > 94 > 68.82396920536031 > 1 > 5 > 0 > 0 > (3R,6R,9R,12R,15R)-3,6-dibenzyl-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentone > 2.74 > 4.025773282666668 > -4.97 > 1 > 3 > 0 > 11.081216615279319 > 10.651759115461156 > -2.8157563317396455 > 145.5 > 172.06780000000012 > 9 > 0 > 6.70e-03 g/l > (3R,6R,9R,12R,15R)-3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentone > 0 > NP0014033 > Hikiamide A $$$$