54639480 -OEChem-04252408412D 64 67 0 1 0 0 0 0 0999 V2000 4.5981 7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 14 1 0 0 0 0 3 48 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 10 6 1 6 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 47 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 44 1 0 0 0 0 14 45 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 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 27 1 0 0 0 0 20 28 2 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 22 25 2 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 34 1 0 0 0 0 29 57 1 0 0 0 0 30 35 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > 54639480 > 1 > 736 > 5 > 4 > 8 > AAADceB7OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwAQCAAADDzhmA4xwILABgCIAiVSUACCAAAhAgAIiIEIZIiLNDbAsZGHcAhu9gLb6CcQgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 2-[(2S,3S,6R)-3-[(2-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,3S,6R)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,3S,6R)-3-[(2-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,3S,6R)-3-[(2-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,3S,6R)-3-[(2-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]ethanamide > 2-[(2S,3S,6R)-3-[(2-fluorophenyl)carbamoylamino]-2-methylol-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylbenzyl)acetamide > InChI=1S/C28H28FN3O4/c29-23-8-4-5-9-24(23)31-28(35)32-25-15-14-22(36-26(25)18-33)16-27(34)30-17-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-15,22,25-26,33H,16-18H2,(H,30,34)(H2,31,32,35)/t22-,25-,26+/m0/s1 > CHMWYEVRTWMFCL-UCGXPXSYSA-N > 3.5 > 489.20638455 > C28H28FN3O4 > 489.5 > C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)CC3C=CC(C(O3)CO)NC(=O)NC4=CC=CC=C4F > C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)NC4=CC=CC=C4F > 99.7 > 489.20638455 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 6 19 21 8 19 22 8 20 27 8 20 28 8 21 24 8 22 25 8 23 24 8 23 25 8 26 29 8 26 30 8 27 31 8 28 32 8 29 34 8 30 35 8 31 33 8 32 33 8 34 36 8 35 36 8 10 6 6 9 14 5 $$$$