16197146 -OEChem-05082416262D 62 66 0 1 0 0 0 0 0999 V2000 13.7619 1.7365 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 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 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 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 2.6025 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 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 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 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 3.1395 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 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 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 23 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 11 3 1 1 0 0 0 3 17 1 0 0 0 0 4 18 2 0 0 0 0 5 34 1 0 0 0 0 5 62 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 6 48 1 0 0 0 0 7 24 1 0 0 0 0 7 27 1 0 0 0 0 7 53 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 1 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 41 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 23 2 0 0 0 0 19 46 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 25 30 1 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 35 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > 16197146 > 1 > 751 > 5 > 3 > 8 > AAADceB7OAAAEAAAAAAAAAAAAAAAAWAAAAAwYMEAAAAAAFgB9AAAHgBQCAABrQzxnwcx2LbJlgCoAydydAKCiC2hMqQJmaB4fPiafqLAuZ23cAhs1gPc+7eQwPAOwgAAAAAAACCEAAAAAAAAQAAAAAAAAA== > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide > (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-(4-methylolbenzyl)oxy-3,4-dihydro-2H-pyran-6-carboxamide > InChI=1S/C28H26BrN3O4/c29-22-11-9-20(10-12-22)21-13-25(28(34)30-15-26-31-23-3-1-2-4-24(23)32-26)36-27(14-21)35-17-19-7-5-18(16-33)6-8-19/h1-13,21,27,33H,14-17H2,(H,30,34)(H,31,32)/t21-,27+/m1/s1 > HFBNRAUWTCHHMA-ZBLYBZFDSA-N > 4.5 > 547.11067 > C28H26BrN3O4 > 548.4 > C1C(C=C(OC1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Br > C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Br > 96.5 > 547.11067 > 0 > 36 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 13 16 8 15 19 8 16 20 8 19 23 8 20 23 8 21 25 8 21 26 8 25 30 8 26 31 8 27 28 8 27 32 8 28 33 8 29 30 8 29 31 8 11 3 5 32 35 8 33 36 8 35 36 8 7 24 8 7 27 8 8 24 8 8 28 8 9 13 5 $$$$