60193999 -OEChem-03292403182D 63 66 0 1 0 0 0 0 0999 V2000 2.8660 -4.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.0000 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 8.4939 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -2.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.8047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -1.9615 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 8.9939 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 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 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 -0.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -2.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 -1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 -1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5309 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 -3.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 6 0 0 0 2 15 1 0 0 0 0 4 18 1 0 0 0 0 4 57 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 24 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 24 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 30 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 60193999 > 1 > 714 > 7 > 1 > 6 > AAADceB7OABAEAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgBwAAAHgRASAABrCjh3gYygJMIFgKoAyVyVEDCgCAnAiQImCG4ZPgKcPLA1bGXYQhmhgDYy5eY2fOOgAAAEAAAAAAAAAAgAAAAAAAAAAAAAA== > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholino-methanone > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-ylmethanone > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-ylmethanone > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-yl-methanone > [(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholino-methanone > InChI=1S/C24H30BrN3O4S/c1-24(2,3)33(31)28-15-17-14-19(23(30)27-8-11-32-12-9-27)26-22(21(17)20(28)7-10-29)16-5-4-6-18(25)13-16/h4-6,13-14,20,29H,7-12,15H2,1-3H3/t20-,33-/m0/s1 > ZIPSSLLAMHZUHR-KGMZSHBCSA-N > 2.3 > 535.11404 > C24H30BrN3O4S > 536.5 > CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC(=CC=C3)Br)C(=O)N4CCOCC4 > CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)Br)C(=O)N4CCOCC4 > 102 > 535.11404 > 0 > 33 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 11 13 8 11 16 8 13 17 8 17 19 8 2 7 6 23 27 8 23 28 8 27 31 8 28 32 8 31 33 8 32 33 8 8 16 8 8 19 8 $$$$