6668793 -OEChem-04192414192D 62 66 0 1 0 0 0 0 0999 V2000 7.7619 1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 4.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.4686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 5.1393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.7365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2619 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.8705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2619 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 4.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 4.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 2.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 0.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 0.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 0.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -1.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -0.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 0.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 4.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 4.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 1.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -2.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 5.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -2.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -3.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -3.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -4.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -5.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 1 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 4 33 1 0 0 0 0 4 62 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 47 1 0 0 0 0 6 23 1 0 0 0 0 6 26 1 0 0 0 0 6 53 1 0 0 0 0 7 23 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 1 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 2 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 15 19 2 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 22 2 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 24 29 1 0 0 0 0 24 51 1 0 0 0 0 25 30 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 34 1 0 0 0 0 31 56 1 0 0 0 0 32 35 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 6668793 > 1 > 717 > 5 > 3 > 8 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMEAAAAAAFgB9AAAHgAQCAAADQzxnwcx2LbJlgCoAydydAKCiC2hMqAJmaB4fNiafqLAuZ23cAhs1gPc+aeQwPAOwAAAAAAAACCAAAAAAAAAQAAAAAAAAA== > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylolbenzyl)oxy-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide > InChI=1S/C28H27N3O4/c32-17-19-10-12-20(13-11-19)18-34-27-15-22(21-6-2-1-3-7-21)14-25(35-27)28(33)29-16-26-30-23-8-4-5-9-24(23)31-26/h1-14,22,27,32H,15-18H2,(H,29,33)(H,30,31)/t22-,27+/m1/s1 > HQGKRIBASAVMED-AMGIVPHBSA-N > 3.8 > 469.20015635 > C28H27N3O4 > 469.5 > C1C(C=C(OC1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5 > C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5 > 96.5 > 469.20015635 > 0 > 35 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 14 18 8 15 19 8 18 22 8 19 22 8 10 2 5 20 24 8 20 25 8 24 29 8 25 30 8 26 27 8 26 31 8 27 32 8 28 29 8 28 30 8 31 34 8 32 35 8 34 35 8 6 23 8 6 26 8 7 23 8 7 27 8 8 12 5 $$$$