49851131 -OEChem-03282410362D 66 71 0 1 0 0 0 0 0999 V2000 7.0257 1.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2827 -2.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8635 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3341 -0.0544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 1.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 -1.5737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -2.5890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9458 -0.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1368 0.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6362 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7549 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6421 -0.9996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7549 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3245 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1671 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7524 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9619 -1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5639 -1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6264 -0.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7703 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8580 2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1308 2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4732 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1513 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4593 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1822 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -2.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 -0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 1.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5705 -1.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2424 -1.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 -1.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6655 -1.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 -1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 -1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7957 -1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3709 -0.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7092 0.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1303 -0.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -1.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9550 -0.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 -2.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9324 2.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8828 0.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 0.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5644 2.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8929 -2.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9609 -2.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 2.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5170 3.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6984 3.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 -3.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 0.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 -2.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 18 2 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 50 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 62 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 8 13 1 0 0 0 0 9 37 1 1 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 1 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 23 2 0 0 0 0 15 20 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 27 2 0 0 0 0 19 47 1 0 0 0 0 20 24 1 1 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 36 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 49851131 > 1 > 964 > 3 > 2 > 4 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWLFgAA8YIAAAAAWAFgB9AAAHgAQAAAADijBngQ/wPPJkACoAzV3VACCgCAxAiAI2aG4ZJiIYPLAkbGUIAholwLIyCcYicCPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (1R,4S,7R,9R)-16-acetyl-9-(1,1-dimethylallyl)-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > (1R,4S,7R,9R)-16-acetyl-4-(1H-indol-3-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > (1R,4S,7R,9R)-16-acetyl-4-(1H-indol-3-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > (1R,4S,7R,9R)-16-acetyl-4-(1H-indol-3-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > (1R,4S,7R,9R)-16-ethanoyl-4-(1H-indol-3-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > (1R,4S,7R,9R)-16-acetyl-9-(1,1-dimethylallyl)-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-quinone > InChI=1S/C29H30N4O3/c1-5-28(3,4)29-15-24-25(35)31-22(14-18-16-30-21-12-8-6-10-19(18)21)26(36)33(24)27(29)32(17(2)34)23-13-9-7-11-20(23)29/h5-13,16,22,24,27,30H,1,14-15H2,2-4H3,(H,31,35)/t22-,24+,27-,29+/m0/s1 > YFVVHZDKGOWDHW-ATYLSGPNSA-N > 4.2 > 482.23179083 > C29H30N4O3 > 482.6 > CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)(C6=CC=CC=C61)C(C)(C)C=C > CC(=O)N1[C@@H]2[C@@](C[C@H]3N2C(=O)[C@@H](NC3=O)CC4=CNC5=CC=CC=C54)(C6=CC=CC=C61)C(C)(C)C=C > 85.5 > 482.23179083 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 40 5 13 14 8 13 21 8 14 23 8 20 24 5 21 25 8 23 26 8 25 26 8 29 30 8 29 31 8 30 32 8 30 33 8 32 34 8 33 35 8 34 36 8 35 36 8 7 31 8 7 32 8 8 11 5 9 37 5 $$$$