69571704 -OEChem-04192419572D 76 79 0 1 0 0 0 0 0999 V2000 5.0000 3.2071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7782 -3.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 -2.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 4.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 3.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 2.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.2929 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7320 0.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 2.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -1.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3660 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -2.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0570 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6261 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 3.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -1.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -3.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 -2.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 -2.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 -1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 -2.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 -1.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 -1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0304 -4.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -0.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9589 -2.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 3.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 4.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 3.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 2.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 1.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 3.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 0.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 3.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 4.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 4.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 0.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 -0.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 2.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 3.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7522 3.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7101 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 30 1 0 0 0 0 12 2 1 1 0 0 0 2 48 1 0 0 0 0 3 14 1 0 0 0 0 3 50 1 0 0 0 0 4 20 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 15 2 0 0 0 0 8 21 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 21 51 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 2 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 31 1 0 0 0 0 26 58 1 0 0 0 0 27 32 2 0 0 0 0 27 59 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 32 38 1 0 0 0 0 33 64 1 0 0 0 0 34 39 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 39 2 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > 69571704 > 1 > 943 > 7 > 2 > 7 > AAADcfB7OABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgQASAAADjzhmga/8JMIEgKoAjd3dHCCgCkxEiAJ2CE4dJiKcHLAnZGUYAhuhALYyCfYmMKPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(o-tolyl)-3-pyridyl]-2-methyl-N-methylsulfonyl-propanamide > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-4-(2-methylphenyl)-3-pyridinyl]-2-methyl-N-methylsulfonylpropanamide > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyridin-3-yl]-2-methyl-N-methylsulfonylpropanamide > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyridin-3-yl]-2-methyl-N-methylsulfonylpropanamide > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]-4-(2-methylphenyl)pyridin-3-yl]-2-methyl-N-methylsulfonyl-propanamide > 2-(3,5-dimethylphenyl)-N-[6-[(2S,4R)-4-hydroxy-2-methylol-pyrrolidino]-4-(o-tolyl)-3-pyridyl]-N-mesyl-2-methyl-propionamide > InChI=1S/C30H37N3O5S/c1-19-11-20(2)13-22(12-19)30(4,5)29(36)33(39(6,37)38)27-16-31-28(32-17-24(35)14-23(32)18-34)15-26(27)25-10-8-7-9-21(25)3/h7-13,15-16,23-24,34-35H,14,17-18H2,1-6H3/t23-,24+/m0/s1 > SNDDGMHUGCXAKP-BJKOFHAPSA-N > 4.4 > 551.24539246 > C30H37N3O5S > 551.7 > CC1=CC=CC=C1C2=CC(=NC=C2N(C(=O)C(C)(C)C3=CC(=CC(=C3)C)C)S(=O)(=O)C)N4CC(CC4CO)O > CC1=CC=CC=C1C2=CC(=NC=C2N(C(=O)C(C)(C)C3=CC(=CC(=C3)C)C)S(=O)(=O)C)N4C[C@@H](C[C@H]4CO)O > 119 > 551.24539246 > 0 > 39 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 15 16 8 16 18 8 18 19 8 19 21 8 12 2 5 22 26 8 22 27 8 23 28 8 23 29 8 26 31 8 27 32 8 28 34 8 29 36 8 31 33 8 32 33 8 34 39 8 36 39 8 8 15 8 8 21 8 $$$$