Mrv1652304282217572D 54 59 0 0 1 0 999 V2000 5.2229 2.7814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6213 3.5038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 4.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 3.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4186 2.9113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 2.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 1.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 0.2826 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 0.8274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -0.3740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1534 -1.1751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9458 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0298 -0.0381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 0.0191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5895 0.2554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7147 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 0.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 2.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9626 1.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 1.2453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 1.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7873 1.3302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 1.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1851 0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3662 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 0.1624 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 3.6518 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 3.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 3.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1757 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0374 2.6506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3314 1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 3.2906 0.0000 C 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 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 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 1 0 0 0 14 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 22 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 22 26 1 1 0 0 0 27 25 1 1 0 0 0 27 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 2 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 1 36 1 0 0 0 0 36 37 2 0 0 0 0 34 38 1 1 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 39 44 1 0 0 0 0 33 45 1 0 0 0 0 45 46 1 0 0 0 0 31 46 2 0 0 0 0 27 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 5 50 1 0 0 0 0 23 51 1 6 0 0 0 1 52 1 6 0 0 0 52 53 1 1 0 0 0 52 54 1 0 0 0 0 M END > NP0070558 > NP-MRD > CC[C@@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CSSC[C@H](NC(=O)C3=CSC1=N3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C1=NC(=CS1)C(=O)N2 > InChI=1S/C35H42N8O7S4/c1-5-16(2)25-35-40-22(13-52-35)28(45)37-23-14-53-54-15-24(33-43-27(18(4)50-33)32(49)41-25)38-29(46)21-12-51-34(39-21)20(11-19-9-7-6-8-10-19)36-31(48)26(17(3)44)42-30(23)47/h6-10,12-13,16-18,20,23-27,44H,5,11,14-15H2,1-4H3,(H,36,48)(H,37,45)(H,38,46)(H,41,49)(H,42,47)/t16-,17-,18-,20-,23+,24+,25-,26+,27+/m1/s1 > ABHRBGGUMLRXIK-NLUXLWHWSA-N > C35H42N8O7S4 > 815.01 > 814.20593042 > 9 > 96 > 81.68915344326064 > 0 > 6 > 0 > 0 > (1R,4R,5S,8R,15R,18S,21R)-21-benzyl-8-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxyethyl]-4-methyl-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.1^{2,5}.1^{9,12}.1^{22,25}]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone > 2.47 > 1.7879179896666662 > -4.52 > 0 > 6 > 0 > 10.247814370075995 > 9.733305622990095 > -1.1400100175314627 > 213.09999999999997 > 204.7089999999999 > 5 > 0 > 2.49e-02 g/l > (1R,4R,5S,8R,15R,18S,21R)-21-benzyl-8-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxyethyl]-4-methyl-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.1^{2,5}.1^{9,12}.1^{22,25}]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone > 0 > NP0070558 > Ulithiacyclamide G $$$$