54649441 -OEChem-04242413002D 72 75 0 1 0 0 0 0 0999 V2000 8.8600 -0.0000 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 9.3600 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 -2.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.8047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -0.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -2.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 -1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 -0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7629 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 -3.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 1 0 0 0 1 13 1 0 0 0 0 3 16 1 0 0 0 0 3 57 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 7 59 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 58 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 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 64 1 0 0 0 0 32 35 1 0 0 0 0 32 65 1 0 0 0 0 33 36 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 70 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 M END > 54649441 > 1 > 806 > 6 > 2 > 9 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB0AAAHgQQSAAADCjh3gYygJLIEgKoAyVyVEDCgCAnAiAImKG4ZNgIcPLA1bGUYQhmhgDIyYeY2fOOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > (3R)-N-benzyl-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3R)-N-benzyl-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3R)-N-benzyl-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3R)-N-benzyl-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > InChI=1S/C30H35N3O3S/c1-5-10-21-13-9-14-23(17-21)28-27-24(20-33(26(27)15-16-34)37(36)30(2,3)4)18-25(32-28)29(35)31-19-22-11-7-6-8-12-22/h5-14,17-18,26,34H,15-16,19-20H2,1-4H3,(H,31,35)/b10-5+/t26-,37-/m1/s1 > RNIGAGNWOYTJAX-FVKILAAISA-N > 4.3 > 517.23991316 > C30H35N3O3S > 517.7 > CC=CC1=CC(=CC=C1)C2=C3C(N(CC3=CC(=N2)C(=O)NCC4=CC=CC=C4)S(=O)C(C)(C)C)CCO > C/C=C/C1=CC(=CC=C1)C2=C3[C@H](N(CC3=CC(=N2)C(=O)NCC4=CC=CC=C4)[S@](=O)C(C)(C)C)CCO > 102 > 517.23991316 > 0 > 37 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 5 5 11 15 8 15 20 8 21 22 8 21 24 8 22 25 8 24 26 8 25 27 8 26 27 8 30 32 8 30 33 8 32 35 8 33 36 8 35 37 8 36 37 8 6 14 8 6 20 8 8 12 6 9 11 8 9 14 8 $$$$