23930866 -OEChem-04232417232D 63 65 0 1 0 0 0 0 0999 V2000 7.7619 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.1695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.8403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2619 -0.4286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7619 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7619 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -0.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -1.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -0.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3819 0.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 1.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 -0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 -0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -2.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -3.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -2.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -2.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -4.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 3.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 3.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 11 2 1 6 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 3 56 1 0 0 0 0 4 20 2 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 5 52 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 59 1 0 0 0 0 7 24 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 1 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > 23930866 > 1 > 604 > 5 > 3 > 9 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAFgB8AAAHgAQCAAADwzxlwcz2LbJlgCoASdydAKCiC2hMqAJmaB4dNiaeKLAmZW3YAhslgLcyaeQ4HgPgAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide > (2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide > InChI=1S/C23H33N3O4/c1-5-29-22-15(9-8-12-27)16(23(2,3)4)13-19(30-22)21(28)24-14-20-25-17-10-6-7-11-18(17)26-20/h6-7,10-11,13,15-16,22,27H,5,8-9,12,14H2,1-4H3,(H,24,28)(H,25,26)/t15-,16+,22-/m1/s1 > KKBCFDFOYKJOPF-ZMPRRUGASA-N > 3.6 > 415.24710654 > C23H33N3O4 > 415.5 > CCOC1C(C(C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C(C)(C)C)CCCO > CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C(C)(C)C)CCCO > 96.5 > 415.24710654 > 0 > 30 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 2 6 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 6 24 8 6 25 8 7 24 8 7 26 8 8 31 5 9 12 5 $$$$