Mrv1533004171512382D 62 65 0 0 0 0 999 V2000 -1.3448 0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2712 -1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3971 0.5345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 1.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 1.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 2.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 0.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 1.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3844 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -1.1262 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8341 -1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 -1.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2838 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8843 -2.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 -3.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 -2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -3.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 -2.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 -2.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -1.6171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -1.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -3.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 -3.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -4.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2017 -5.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 -4.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 -4.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 -0.8673 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 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 18 25 1 0 0 0 0 16 26 1 0 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 2 0 0 0 0 30 31 1 4 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 31 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 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 51 52 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 5 53 1 0 0 0 0 53 54 2 0 0 0 0 44 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > NP0173701 > NP-MRD > CCC(C)C1N(C)C(=O)C(C)N(C)C(=O)C(CC2=CC=C(OC)C=C2)NC(=O)C(C)=CC2CSC(=N2)C(C)C(O)CC(C)CC(OC(=O)C2CCCN2C1=O)C(C)CC(C)(C)C > InChI=1S/C48H75N5O8S/c1-14-29(3)41-46(58)53-21-15-16-38(53)47(59)61-40(31(5)26-48(8,9)10)23-28(2)22-39(54)32(6)43-49-35(27-62-43)24-30(4)42(55)50-37(25-34-17-19-36(60-13)20-18-34)45(57)51(11)33(7)44(56)52(41)12/h17-20,24,28-29,31-33,35,37-41,54H,14-16,21-23,25-27H2,1-13H3,(H,50,55) > OFUDGDJEKOUEKG-UHFFFAOYSA-N > C48H75N5O8S > 882.22 > 881.533635569 > 8 > 137 > 98.69932596959978 > 0 > 2 > 0 > 0 > 16-(butan-2-yl)-7-(4,4-dimethylpentan-2-yl)-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0¹⁰,¹⁴]triaconta-1(30),25-diene-9,15,18,21,24-pentone > 5.44 > 6.5857426416666645 > -5.37 > 1 > 4 > 0 > 14.810968030656024 > 12.904885274687445 > 3.8836414958507195 > 158.15000000000003 > 244.4991000000001 > 8 > 0 > 3.76e-03 g/l > 7-(4,4-dimethylpentan-2-yl)-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-16-(sec-butyl)-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0¹⁰,¹⁴]triaconta-1(30),25-diene-9,15,18,21,24-pentone > 0 > NP0173701 > 7-(4,4-dimethylpentan-2-yl)-3,24-dihydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-16-(sec-butyl)-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0¹⁰,¹⁴]triaconta-1(30),23,25-triene-9,15,18,21-tetrone $$$$