Mrv1652307042107133D 91 92 0 0 0 0 999 V2000 2.7617 2.7033 2.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 2.4570 0.7892 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6930 3.7912 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 1.3871 0.4309 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8858 0.9477 -0.9854 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1196 0.4530 -1.5122 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.5741 -1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 -0.2442 -0.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -1.9671 -0.7226 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8546 -2.2700 0.6965 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2704 -2.1493 1.1431 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3634 -2.5123 2.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 -3.0321 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 -2.2323 -1.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -3.0038 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 -4.1582 -0.9641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 -2.4615 0.5518 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5150 -3.5430 1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -2.2526 0.1711 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1293 -2.0148 -1.2403 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -1.2533 -1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 -1.5140 -2.9352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -0.0691 -1.1058 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2106 -0.4513 -0.7238 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2071 -1.6357 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 -2.9305 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -4.0347 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 -3.9077 1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1242 -2.6201 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1255 -1.5121 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 1.0047 -2.0703 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 1.0641 -2.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 1.9546 -2.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 2.3469 -3.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 2.5553 -1.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6548 3.9639 -0.9136 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1053 3.9596 -0.6032 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4598 3.2528 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 5.3890 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2958 2.7743 -1.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 2.0320 -1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8421 2.1740 -2.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 3.4235 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 3.1333 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 1.7532 2.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 2.1894 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 3.6961 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5587 4.4548 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 4.2753 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 1.6638 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.4775 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1509 0.0831 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 0.9552 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 -2.5984 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 -1.6309 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -3.3119 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6776 -1.1114 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 -3.5619 2.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -1.7866 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4298 -2.5510 2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5884 -2.5925 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -3.0893 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 -4.0750 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.5160 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -3.6029 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -3.3348 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 -4.5027 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 -1.4271 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -3.1496 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 -2.4330 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 0.1709 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 0.4151 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -0.7802 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 -3.0974 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 -5.0432 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 -4.7609 2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 -2.5314 3.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -0.5401 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9066 1.1533 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0723 0.2180 -3.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 1.9778 -3.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 2.0211 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 4.5022 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 4.5565 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 3.5283 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 3.7904 1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5389 3.2815 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 2.2127 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 5.3712 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 5.8672 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 5.9897 0.2360 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 1 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 5 1 0 0 0 0 30 25 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 46 1 1 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 52 1 1 0 0 0 6 53 1 0 0 0 0 9 54 1 6 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 57 1 1 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 17 64 1 1 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 70 1 0 0 0 0 23 71 1 1 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 26 74 1 0 0 0 0 27 75 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 35 82 1 1 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 85 1 6 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 M END > NP0016089 > NP-MRD > [H]N1C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C1([H])[H])C([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])C([H])(C([H])([H])[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/C32H49N3O7/c1-19(2)14-24-32(40)42-27(16-21(5)6)30(38)35(8)25(17-23-12-10-9-11-13-23)28(36)33-18-22(7)31(39)41-26(15-20(3)4)29(37)34-24/h9-13,19-22,24-27H,14-18H2,1-8H3,(H,33,36)(H,34,37)/t22-,24+,25+,26-,27+/m1/s1 > PEMAMRSZAFPWDB-UOJUTNHLSA-N > C32H49N3O7 > 587.758 > 587.35705093 > 5 > 91 > 63.70432773204328 > 1 > 2 > 0 > 0 > (2R,5S,8S,11S,15R)-11-benzyl-10,15-dimethyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone > 3.43 > 4.629293895999998 > -5.10 > 0 > 2 > 0 > 14.093728282127064 > 11.032168131527278 > -3.4933529719705594 > 131.11 > 157.90390000000005 > 8 > 0 > 4.65e-03 g/l > (2R,5S,8S,11S,15R)-11-benzyl-10,15-dimethyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone > 0 > NP0016089 > Leualacin B $$$$