41046059 -OEChem-03292418192D 63 66 0 1 0 0 0 0 0999 V2000 4.6783 0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 2.5981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2619 1.7320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7988 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9519 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7249 3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7249 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 28 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 33 1 0 0 0 0 6 32 1 0 0 0 0 6 63 1 0 0 0 0 7 32 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 26 2 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 37 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 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 53 1 0 0 0 0 27 32 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 34 1 0 0 0 0 30 56 1 0 0 0 0 31 35 1 0 0 0 0 31 57 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 41046059 > 1 > 769 > 8 > 1 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQACAAADBzh3gYyz7MIFgisAyXyXAKD+KBhKjhImD1+7JgPJrLksZ+HeCrkxhH66Ae0wBAOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethoxy]-3-methoxy-phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethoxy]-3-methoxyphenyl]-3-butenoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[2-[(2R,6R)-2,6-dimethylmorpholino]-2-keto-ethoxy]-3-methoxy-phenyl]but-3-enoic acid > InChI=1S/C26H28N2O6S/c1-16-13-28(14-17(2)34-16)24(29)15-33-21-9-8-18(11-22(21)32-3)10-19(12-25(30)31)26-27-20-6-4-5-7-23(20)35-26/h4-11,16-17H,12-15H2,1-3H3,(H,30,31)/b19-10+/t16-,17-/m1/s1 > QOBQIFXTGQZYBO-GRPSYMLLSA-N > 4.4 > 496.16680779 > C26H28N2O6S > 496.6 > CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3)OC > C[C@@H]1CN(C[C@H](O1)C)C(=O)COC2=C(C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)OC > 126 > 496.16680779 > 0 > 35 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 26 8 1 28 8 10 14 5 11 15 6 18 19 8 18 20 8 19 22 8 20 23 8 21 22 8 21 23 8 28 29 8 28 30 8 29 31 8 30 34 8 31 35 8 34 35 8 9 26 8 9 29 8 $$$$