60186912 -OEChem-05102407242D 59 63 0 1 0 0 0 0 0999 V2000 3.1617 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -3.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 -1.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 1.0497 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6016 -1.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 -2.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2927 0.0671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5516 -0.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8938 -0.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1526 -1.4076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3260 -0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5294 1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 2.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0278 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4361 3.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 3.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6929 4.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 -3.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 -1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 -4.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -3.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 -4.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -3.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6254 -2.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 0.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 -1.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5511 -1.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 0.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9403 -0.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0043 2.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0043 1.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 2.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 0.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 2.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 2.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 4.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 3.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2373 3.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5747 4.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 4.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 4.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7673 -3.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 -3.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -1.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 -3.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 -4.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -3.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 -2.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -4.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 -4.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -0.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8027 -3.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1837 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 57 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 6 50 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 1 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 31 1 0 0 0 0 10 16 1 6 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 21 2 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 27 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 M END > 60186912 > 1 > 708 > 4 > 2 > 5 > AAADceB7MAAAAAAAAAAAAAAAAABgAeIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYAAAPAAgCIACVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxidanylidene-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-N-cyclobutyl-12-(cyclopentylmethyl)-6-keto-10-methylol-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C22H31N3O3/c26-13-16-18-12-24-17(9-4-10-19(24)27)21(25(18)11-14-5-1-2-6-14)20(16)22(28)23-15-7-3-8-15/h4,9-10,14-16,18,20-21,26H,1-3,5-8,11-13H2,(H,23,28)/t16-,18-,20+,21+/m0/s1 > LWXYJHRMNLMHND-XIGKFDRGSA-N > 1.5 > 385.23654186 > C22H31N3O3 > 385.5 > C1CCC(C1)CN2C3CN4C(=O)C=CC=C4C2C(C3CO)C(=O)NC5CCC5 > C1CCC(C1)CN2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NC5CCC5 > 72.9 > 385.23654186 > 0 > 28 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 6 13 21 8 21 27 8 23 28 8 27 28 8 5 13 8 5 23 8 7 29 6 8 30 5 9 15 5 $$$$