60191166 -OEChem-04242422022D 58 61 0 1 0 0 0 0 0999 V2000 11.2474 2.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8025 0.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8025 1.1639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 -0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2474 -1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6251 -2.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5916 -2.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2972 -3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -0.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8648 1.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 2.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 0.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6849 3.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -2.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4634 -3.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7533 -1.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8579 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7347 -3.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7365 -2.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 43 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 27 1 0 0 0 0 4 31 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 23 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 1 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 33 1 0 0 0 0 10 13 1 1 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 20 2 0 0 0 0 17 42 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 2 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > 60191166 > 1 > 676 > 4 > 2 > 5 > AAADceB7OAAAAAAAAAAAAAAAAABYAAAAAAA8YIAAAAAWAAABQAAAHgAQCAAADSzhmAYzxoPABgCIAiVSUACCCAAhIgAIiACObIiOdiLEsbuUcChu1hvY6Cew0OMOwAAAAgAAAACAAAAEAAAAAAAAAAAAAA== > (6R,7R,8R)-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6R,7R,8R)-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6R,7R,8R)-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6R,7R,8R)-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6R,7R,8R)-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxidanylidene-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > (6R,7R,8R)-2-keto-N-(3-methoxyphenyl)-8-methylol-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > InChI=1S/C24H27N3O4/c1-3-5-16-8-10-17(11-9-16)23-20-13-26(14-22(29)27(20)21(23)15-28)24(30)25-18-6-4-7-19(12-18)31-2/h3-12,20-21,23,28H,13-15H2,1-2H3,(H,25,30)/b5-3+/t20-,21-,23+/m0/s1 > KDXZQGZMMYXGOI-OEYULHHRSA-N > 2.4 > 421.20015635 > C24H27N3O4 > 421.5 > CC=CC1=CC=C(C=C1)C2C3CN(CC(=O)N3C2CO)C(=O)NC4=CC(=CC=C4)OC > C/C=C/C1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)OC > 82.1 > 421.20015635 > 0 > 31 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 5 12 16 8 12 17 8 16 19 8 17 20 8 19 21 8 20 21 8 23 24 8 23 25 8 24 27 8 25 28 8 27 30 8 28 30 8 8 32 5 9 12 6 $$$$