72676363 -OEChem-04192416152D 66 70 0 1 0 0 0 0 0999 V2000 11.2474 3.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8025 1.2865 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8025 2.2948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2474 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8780 -3.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0244 -2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7680 -4.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4766 -3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6251 -1.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9535 0.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 1.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 2.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8648 2.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 3.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 2.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 -0.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 1.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6849 4.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -1.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2292 -2.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2794 -3.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6546 -4.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6037 -2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8652 -2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4293 -4.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2491 -4.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8658 -4.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9973 -3.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 47 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 32 1 0 0 0 0 4 35 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 28 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 22 51 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 29 3 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 72676363 > 1 > 836 > 4 > 2 > 5 > AAADceB7OAAAAAAAAAAAAAAAAABYAYAAAAA8YIAAAAAWAAABQAAAHgAQCAAADSzhmAYzxoPABgDIEiVSUAiCCAAhIgAIiACObIiOdiLEsbuUcChu1hvY6Cew0OMOwAAAAgAAAACAAAAEAAAAAAAAAAAAAA== > 7-[4-(2-cyclopentylethynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 7-[4-(2-cyclopentylethynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 7-[4-(2-cyclopentylethynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 7-[4-(2-cyclopentylethynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 7-[4-(2-cyclopentylethynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxidanylidene-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 7-[4-(2-cyclopentylethynyl)phenyl]-2-keto-N-(3-methoxyphenyl)-8-methylol-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > InChI=1S/C28H31N3O4/c1-35-23-8-4-7-22(15-23)29-28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-13-11-20(12-14-21)10-9-19-5-2-3-6-19/h4,7-8,11-15,19,24-25,27,32H,2-3,5-6,16-18H2,1H3,(H,29,34) > RLHXDXLNIWYSLV-UHFFFAOYSA-N > 3.7 > 473.23145648 > C28H31N3O4 > 473.6 > COC1=CC=CC(=C1)NC(=O)N2CC3C(C(N3C(=O)C2)CO)C4=CC=C(C=C4)C#CC5CCCC5 > COC1=CC=CC(=C1)NC(=O)N2CC3C(C(N3C(=O)C2)CO)C4=CC=C(C=C4)C#CC5CCCC5 > 82.1 > 473.23145648 > 0 > 35 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 3 12 16 8 12 17 8 16 19 8 17 20 8 19 21 8 20 21 8 28 30 8 28 31 8 30 32 8 31 33 8 32 34 8 33 34 8 8 11 3 9 12 3 $$$$