Mrv1533004171512512D 43 45 0 0 0 0 999 V2000 4.3693 -0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 2.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 1.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7623 2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 2.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9738 2.8428 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4588 3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 3.1072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4469 4.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1554 4.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8757 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5841 4.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8876 3.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 4.7570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 5.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 6.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 6.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 7.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 8.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 8.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 8.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 8.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2858 5.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 5.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 6.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 5.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 4.7157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 4.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 4.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 3.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 2.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9138 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 3.0659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 1.8182 0.0000 O 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 3 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 12 13 2 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 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 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 5 42 1 0 0 0 0 42 43 2 0 0 0 0 M END > NP0263346 > NP-MRD > CCC(C)C1NC(=O)C2CSC(=N2)C(CC(C)C)NC(=O)C(COC(C)(C)C=C)NC(=O)CNC(=O)C2CCCN2C1=O > InChI=1S/C30H48N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,17-22,24H,2,8,10-16H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39) > FCGBWFPYRURNCX-UHFFFAOYSA-N > C30H48N6O6S > 620.81 > 620.335604464 > 7 > 91 > 65.97082761532832 > 1 > 4 > 0 > 0 > 4-(butan-2-yl)-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricos-20(23)-ene-2,5,11,14,17-pentone > 1.74 > 1.0276888150000003 > -4.32 > 1 > 3 > 0 > 11.058772809528655 > 10.536687759530047 > 1.8269534864636319 > 158.3 > 163.54970000000003 > 8 > 0 > 2.98e-02 g/l > 16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricos-20(23)-ene-2,5,11,14,17-pentone > 0 > NP0263346 > 2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-2,11,14,17,20(23)-pentaen-5-one $$$$