60191438 -OEChem-03282416462D 69 73 0 1 0 0 0 0 0999 V2000 11.2474 3.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8025 0.7519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8025 1.7602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 2.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2474 -0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0029 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7787 -3.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3632 -2.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6185 -3.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3617 -2.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6251 -2.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -2.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -0.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 0.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8648 1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 -1.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 0.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6849 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -2.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 -0.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5890 -2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3394 -4.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1679 -4.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4614 -1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7646 -2.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8989 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1978 -3.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9742 -2.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3305 -1.7449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5278 -3.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2973 -4.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 48 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 33 1 0 0 0 0 4 36 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 7 60 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 6 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 38 1 0 0 0 0 10 13 1 6 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 47 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 51 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 30 3 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 60191438 > 1 > 851 > 4 > 2 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAABYAYAAAAA8YIAAAAAWAAABQAAAHgAQCAAADSzhmAYzxoPABgDIEiVSUAiCCAAhIgAIiACObIiOdiLEsbuUcChu1hvY6Cew0OMOwAAAAgAAAACAAAAEAAAAAAAAAAAAAA== > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxidanylidene-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-2-keto-N-(3-methoxyphenyl)-8-methylol-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > InChI=1S/C29H33N3O4/c1-36-24-11-5-10-23(16-24)30-29(35)31-17-25-28(26(19-33)32(25)27(34)18-31)22-14-12-21(13-15-22)9-4-8-20-6-2-3-7-20/h5,10-16,20,25-26,28,33H,2-3,6-8,17-19H2,1H3,(H,30,35)/t25-,26-,28-/m1/s1 > GTCWMVFGOIOCEG-STROYTFGSA-N > 4.2 > 487.24710654 > C29H33N3O4 > 487.6 > COC1=CC=CC(=C1)NC(=O)N2CC3C(C(N3C(=O)C2)CO)C4=CC=C(C=C4)C#CCC5CCCC5 > COC1=CC=CC(=C1)NC(=O)N2C[C@@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CCC5CCCC5 > 82.1 > 487.24710654 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 6 12 16 8 12 17 8 16 19 8 17 20 8 19 22 8 20 22 8 29 31 8 29 32 8 31 33 8 32 34 8 33 35 8 34 35 8 8 37 6 9 12 6 $$$$