Mrv1533004161518482D 37 40 0 0 0 0 999 V2000 2.7470 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 2.2034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 2.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5845 3.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2955 3.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 2.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7413 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2888 4.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 4.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 5.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 5.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 6.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 6.6973 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 5.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 5.5033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 5.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 4.6666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 4.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 4.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 3.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 2.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 3.0166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 5.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 5.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 4.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 5.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7177 4.2951 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 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 8 12 1 0 0 0 0 12 13 1 0 0 0 0 10 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 2 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 18 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 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 4 30 1 0 0 0 0 30 31 2 0 0 0 0 27 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 14 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 M END > NP0276593 > NP-MRD > CC(C)C1NC(=O)C2N=C(OC2C)C(NC(=O)C2=CSC(=N2)C(NC(=O)C2COC1=N2)C(C)C)C(C)C > InChI=1S/C25H36N6O5S/c1-10(2)16-23-26-14(8-35-23)20(32)30-18(12(5)6)25-27-15(9-37-25)21(33)28-17(11(3)4)24-31-19(13(7)36-24)22(34)29-16/h9-14,16-19H,8H2,1-7H3,(H,28,33)(H,29,34)(H,30,32) > PVKWKGXPRJQDIZ-UHFFFAOYSA-N > C25H36N6O5S > 532.66 > 532.246789457 > 6 > 73 > 54.89427159078415 > 1 > 3 > 0 > 0 > 7-methyl-4,11,18-tris(propan-2-yl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),5(24),12(23),19(22)-tetraene-2,9,16-trione > 1.94 > 2.2265452136666672 > -4.00 > 0 > 4 > 0 > 11.061499082321628 > 10.513013758350715 > -0.02363628803000639 > 143.37 > 134.95080000000002 > 3 > 0 > 5.30e-02 g/l > 4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),5(24),12(23),19(22)-tetraene-2,9,16-trione > 0 > NP0276593 > 4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol $$$$