60188059 -OEChem-05062413292D 62 66 0 1 0 0 0 0 0999 V2000 10.9673 0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9764 -2.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 2.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -0.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 2.0200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -0.2350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 -1.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 1.0374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2352 0.5286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9764 -0.4373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5775 0.0715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8031 0.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3565 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1013 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4764 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 2.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2998 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9764 -2.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5697 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 -1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 -2.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3128 -3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1789 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -2.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 -3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 1.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7271 0.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 -0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3575 -0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 1.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3573 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7864 -0.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0328 -2.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 -3.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5876 -2.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 -1.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 -2.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8521 -4.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6773 -4.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4310 -3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7685 -3.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6366 3.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 4.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 4.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -1.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -1.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -3.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 55 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 1 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 2 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > 60188059 > 1 > 899 > 4 > 2 > 4 > AAADceB7OAAAAAAAAAAAAAAAAAAAAeIEAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAACIEIAEgIUBoAwQAUQAAGlgCIgYO+mQKOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(1-cyclopentenyl)-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-5-(cyclopenten-1-yl)-N-cyclopentyl-12-ethanoyl-10-(hydroxymethyl)-6-oxidanylidene-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-cyclopentyl-6-keto-10-methylol-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C24H31N3O4/c1-14(29)27-20-12-26-19(11-10-17(24(26)31)15-6-2-3-7-15)22(27)21(18(20)13-28)23(30)25-16-8-4-5-9-16/h6,10-11,16,18,20-22,28H,2-5,7-9,12-13H2,1H3,(H,25,30)/t18-,20-,21+,22+/m1/s1 > RORARJSETYGBCZ-YJMBLLCNSA-N > 0.7 > 425.23145648 > C24H31N3O4 > 425.5 > CC(=O)N1C2CN3C(=CC=C(C3=O)C4=CCCC4)C1C(C2CO)C(=O)NC5CCCC5 > CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCCC5 > 90 > 425.23145648 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 35 5 13 17 8 17 23 8 19 22 8 22 23 8 6 13 8 6 19 8 8 32 6 9 14 5 $$$$