Mrv1652304282217572D 55 59 0 0 1 0 999 V2000 11.6606 -1.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8332 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1723 0.1283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 0.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2241 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5007 0.1608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5243 2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9734 0.7444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1961 0.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9512 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2307 -1.0714 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 -1.5694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 -1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3688 -1.9036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0805 -2.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -3.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9197 -2.7769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7518 -2.5862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4764 -2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0463 -2.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8754 -1.4820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0184 -3.3670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8278 -3.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4755 -3.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6572 -1.4712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 0.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 1.9087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9139 2.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 1.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2165 0.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3099 1.6234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8332 0.9914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9331 1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 2.3893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4332 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1066 3.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 2.5173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7995 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 2.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1231 0.6911 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 -1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0680 -1.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2106 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9857 -0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6181 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4755 -1.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7004 -1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 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 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 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 1 22 1 0 0 0 0 19 23 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 1 0 0 0 15 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 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 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 10 38 1 0 0 0 0 38 39 2 0 0 0 0 36 40 1 6 0 0 0 40 41 1 0 0 0 0 40 42 1 6 0 0 0 32 43 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 43 46 1 6 0 0 0 31 47 1 0 0 0 0 47 48 1 0 0 0 0 29 48 2 0 0 0 0 1 49 1 1 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 50 55 1 0 0 0 0 M END > NP0070556 > NP-MRD > CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[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)[C@@H](C)O > InChI=1S/C35H44N8O8S4/c1-5-16(2)25-35-40-22(13-53-35)29(47)38-23-14-54-55-15-24(31(49)43-27(18(4)45)33(51)41-25)37-28(46)21-12-52-34(39-21)20(11-19-9-7-6-8-10-19)36-32(50)26(17(3)44)42-30(23)48/h6-10,12-13,16-18,20,23-27,44-45H,5,11,14-15H2,1-4H3,(H,36,50)(H,37,46)(H,38,47)(H,41,51)(H,42,48)(H,43,49)/t16-,17-,18-,20-,23+,24+,25-,26+,27+/m1/s1 > VUFHWAQOMDAXGA-NLUXLWHWSA-N > C35H44N8O8S4 > 833.03 > 832.216495105 > 10 > 99 > 82.95547988781604 > 0 > 8 > 0 > 0 > (1R,8R,11S,14R,21R,24S)-8-benzyl-21-[(2R)-butan-2-yl]-11,24-bis[(1R)-1-hydroxyethyl]-6,19,28,29-tetrathia-2,9,12,15,22,25,31,32-octaazatetracyclo[12.12.4.1^{4,7}.1^{17,20}]dotriaconta-4,7(32),17,20(31)-tetraene-3,10,13,16,23,26-hexone > 1.26 > 0.3369094046666662 > -4.83 > 1 > 5 > 0 > 10.036300859902202 > 9.60038135804501 > -2.937119077952338 > 240.83999999999995 > 207.6974 > 6 > 0 > 1.22e-02 g/l > (1R,8R,11S,14R,21R,24S)-8-benzyl-21-[(2R)-butan-2-yl]-11,24-bis[(1R)-1-hydroxyethyl]-6,19,28,29-tetrathia-2,9,12,15,22,25,31,32-octaazatetracyclo[12.12.4.1^{4,7}.1^{17,20}]dotriaconta-4,7(32),17,20(31)-tetraene-3,10,13,16,23,26-hexone > 0 > NP0070556 > Ulithiacyclamide E $$$$