Mrv1652309102223462D 57 58 0 0 0 0 999 V2000 -3.8728 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 -4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3452 -4.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 -3.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 -3.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -3.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 -2.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 -2.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 -1.0629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -3.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -3.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6113 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -3.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 -3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -2.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 -4.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -4.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0312 -4.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -5.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 -5.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0127 -6.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 -5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7992 -6.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7401 -6.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 -7.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -8.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0312 -8.4989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 -8.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -9.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -9.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6113 -10.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -9.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -9.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 -10.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 -9.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3452 -9.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -9.6376 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -8.9831 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 -8.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -7.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -6.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -5.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -5.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 -7.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 -7.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 -8.4252 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 3 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 10 9 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 13 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 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 26 23 1 4 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 29 1 4 0 0 0 34 35 2 0 0 0 0 35 36 1 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 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 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 52 51 1 4 0 0 0 52 53 2 0 0 0 0 9 53 1 0 0 0 0 53 54 1 0 0 0 0 51 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 57 46 1 4 0 0 0 M END > NP0305718 > NP-MRD > CCCCCCCCC1N=C(O)C(CC(O)C(O)=N)N=C(O)C(CO)N=C(O)C(CC(C)C)N=C(O)C(N)CCC(=O)OC(=O)C2CSSCC(N=C1O)C(O)=N2 > InChI=1S/C35H58N8O12S2/c1-4-5-6-7-8-9-10-20-30(49)42-24-16-56-57-17-25(43-34(24)53)35(54)55-27(46)12-11-19(36)29(48)39-21(13-18(2)3)31(50)41-23(15-44)33(52)40-22(32(51)38-20)14-26(45)28(37)47/h18-26,44-45H,4-17,36H2,1-3H3,(H2,37,47)(H,38,51)(H,39,48)(H,40,52)(H,41,50)(H,42,49)(H,43,53) > CZXJCEODNNZLBX-UHFFFAOYSA-N > C35H58N8O12S2 > 847.01 > 846.361561688 > 19 > 115 > 87.56663028124387 > 0 > 11 > 0 > 0 > 3-[16-amino-3,6,9,12,15,27-hexahydroxy-10-(hydroxymethyl)-13-(2-methylpropyl)-4-octyl-19,21-dioxo-20-oxa-24,25-dithia-2,5,8,11,14,28-hexaazabicyclo[20.4.2]octacosa-2,5,8,11,14,27-hexaen-7-yl]-2-hydroxypropanimidic acid > 0.09383887614352136 > 0 > 2 > 1 > 3.0175282565439137 > 2.6053638106072587 > 9.59725547175792 > 349.47 > 221.2192000000001 > 13 > 0 > 3-[16-amino-3,6,9,12,15,27-hexahydroxy-10-(hydroxymethyl)-13-(2-methylpropyl)-4-octyl-19,21-dioxo-20-oxa-24,25-dithia-2,5,8,11,14,28-hexaazabicyclo[20.4.2]octacosa-2,5,8,11,14,27-hexaen-7-yl]-2-hydroxypropanimidic acid > 0 > NP0305718 > 3-[16-amino-3,6,9,12,15,27-hexahydroxy-10-(hydroxymethyl)-13-(2-methylpropyl)-4-octyl-19,21-dioxo-20-oxa-24,25-dithia-2,5,8,11,14,28-hexaazabicyclo[20.4.2]octacosa-2,5,8,11,14,27-hexaen-7-yl]-2-hydroxypropanimidic acid $$$$