70177022 -OEChem-05092421382D 61 64 0 1 0 0 0 0 0999 V2000 2.0000 -0.5824 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -0.6998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.1066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0762 -3.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -2.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6968 -2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.1066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1750 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0817 -3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.6065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9942 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 -2.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0768 -2.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 -2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6248 -0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 -1.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5898 -0.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6348 -0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4801 -3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3284 -3.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4407 -2.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 0.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3836 0.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 0.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 4.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 40 1 0 0 0 0 5 14 1 0 0 0 0 15 5 1 1 0 0 0 5 43 1 0 0 0 0 6 13 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 51 1 0 0 0 0 8 26 1 0 0 0 0 8 29 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 1 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 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 41 1 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 22 25 2 0 0 0 0 22 53 1 0 0 0 0 23 27 2 0 0 0 0 23 54 1 0 0 0 0 24 28 2 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 33 61 1 0 0 0 0 M END > 70177022 > 1 > 659 > 6 > 4 > 8 > AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHwAQAAAADSjBngw8wPLIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLA0bGUIAhglgDIyAcYiYCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,4R)-4-(aminomethyl)-N-[(1R)-1-[(6-fluoro-3-quinolyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-[(6-fluoro-3-quinolinyl)amino]-1-oxo-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-[(6-fluoroquinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-[(6-fluoroquinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-[(6-fluoranylquinolin-3-yl)amino]-1-oxidanylidene-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(1R)-1-[(6-fluoro-3-quinolyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide > InChI=1S/C25H28FN5O2/c26-19-7-9-21-18(11-19)12-20(15-29-21)30-24(32)22(8-6-16-4-2-1-3-5-16)31-25(33)23-10-17(13-27)14-28-23/h1-5,7,9,11-12,15,17,22-23,28H,6,8,10,13-14,27H2,(H,30,32)(H,31,33)/t17-,22-,23-/m1/s1 > JBORCNKQEZCKFC-NLSFWIRASA-N > 2.2 > 449.22270331 > C25H28FN5O2 > 449.5 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CN=C4C=CC(=CC4=C3)F)CN > C1[C@@H](CN[C@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CN=C4C=CC(=CC4=C3)F)CN > 109 > 449.22270331 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 6 19 21 8 19 22 8 20 23 8 20 26 8 21 24 8 22 25 8 23 27 8 24 28 8 25 28 8 27 29 8 27 30 8 29 31 8 30 32 8 31 33 8 32 33 8 15 5 5 8 26 8 8 29 8 9 13 5 $$$$