71124 -OEChem-04232406042D 94 95 0 0 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 25 1 0 0 0 0 3 33 1 0 0 0 0 4 26 1 0 0 0 0 4 34 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 20 1 0 0 0 0 10 24 1 0 0 0 0 10 36 1 0 0 0 0 11 37 2 0 0 0 0 11 45 1 0 0 0 0 12 38 2 0 0 0 0 12 46 1 0 0 0 0 13 39 1 0 0 0 0 13 45 2 0 0 0 0 14 40 1 0 0 0 0 14 46 2 0 0 0 0 15 37 1 0 0 0 0 15 85 1 0 0 0 0 15 86 1 0 0 0 0 16 38 1 0 0 0 0 16 87 1 0 0 0 0 16 88 1 0 0 0 0 17 19 2 3 0 0 0 17 21 1 0 0 0 0 18 20 2 3 0 0 0 18 22 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 29 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 30 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 37 1 0 0 0 0 29 39 2 0 0 0 0 30 38 1 0 0 0 0 30 40 2 0 0 0 0 31 33 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 67 1 0 0 0 0 32 34 1 0 0 0 0 32 43 1 0 0 0 0 32 44 1 0 0 0 0 32 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 47 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 M END > 71124 > 1 > 1050 > 14 > 2 > 19 > AAADcfB/+ABgAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHgQQAAAADQjh2wYvuJdIFACoAhb3/ACAgCkxAKABWCE4RBiACIBASUAGBAgIRgLIACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-[2-(2-methylpropanoyloxy)ethyl]prop-1-enyl]disulfanyl]pent-3-enyl] 2-methylpropanoate > 2-methylpropanoic acid [4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-[[2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-(2-methyl-1-oxopropoxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] ester > [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate > [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate > [4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-[[2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate > 2-methylpropionic acid [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-isobutyryloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] ester > InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38) > CKHJPWQVLKHBIH-UHFFFAOYSA-N > 2.7 > 702.29817356 > C32H46N8O6S2 > 702.9 > CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C > CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C > 247 > 702.29817356 > 0 > 48 > 0 > 0 > 0 > 2 > 0 > 1 > -1 > 1 5 255 > 11 37 8 11 45 8 12 38 8 12 46 8 13 39 8 13 45 8 14 40 8 14 46 8 17 19 1 18 20 1 29 37 8 29 39 8 30 38 8 30 40 8 $$$$