60189418 -OEChem-03292402092D 57 60 0 1 0 0 0 0 0999 V2000 3.9611 5.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 3.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 3.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8271 2.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5342 3.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6931 5.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 4.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 6.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 5.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7758 6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 4.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 4.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 6.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 6.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 2.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 5.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7774 6.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3422 6.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 7.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 -5.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -6.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -6.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -7.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 -6.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 48 1 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 17 3 0 0 0 0 6 7 1 0 0 0 0 6 13 1 1 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 1 0 0 0 7 33 1 0 0 0 0 8 17 1 6 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 24 3 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 60189418 > 1 > 744 > 4 > 1 > 6 > AAADceB7MAAAAAAAAAAAAAAAAABYAYAAAAAwYAAAAAAAAAABQAAAHgAACAAADSzhmAYyBoMABgDYFiFSEAgCCAAgIAAIiAEOCIgOtjKEsRuEcCAkxhGYqA+4yPAOwAABAAAAAACAAAIAAAAAAAAAAAAAAA== > (2S,3R,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile > (2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile > (2S,3R,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile > (2S,3R,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile > (2S,3R,4S)-1-cyclopentylcarbonyl-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile > (2S,3R,4S)-1-(cyclopentanecarbonyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-methylol-azetidine-2-carbonitrile > InChI=1S/C26H26N2O3/c1-31-22-8-4-5-19(15-22)10-9-18-11-13-20(14-12-18)25-23(16-27)28(24(25)17-29)26(30)21-6-2-3-7-21/h4-5,8,11-15,21,23-25,29H,2-3,6-7,17H2,1H3/t23-,24-,25-/m1/s1 > NZRLAZMLSBIGNN-UBFVSLLYSA-N > 4 > 414.19434270 > C26H26N2O3 > 414.5 > COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)C3C(N(C3C#N)C(=O)C4CCCC4)CO > COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C(=O)C4CCCC4)CO > 73.6 > 414.19434270 > 0 > 31 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 8 14 19 8 18 20 8 19 21 8 20 22 8 21 22 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 6 13 5 7 14 5 8 17 6 $$$$