70177870 -OEChem-03292403492D 61 64 0 1 0 0 0 0 0999 V2000 6.5804 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -1.4671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 -0.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -4.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 1.6261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2064 2.5915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -3.0763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7438 -2.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 -1.8739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2657 -2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -3.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 0.1261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4464 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 2.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0445 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0445 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 4.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2064 4.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 4.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 3.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 -3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 -3.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -1.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 -1.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 -0.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -4.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 -4.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1774 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 -0.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -4.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -0.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 0.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 -1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2344 -1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 1.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -0.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 -3.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 2.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 -1.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -3.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 -3.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 4.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 5.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 5.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 2.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 39 1 0 0 0 0 4 13 1 0 0 0 0 14 4 1 1 0 0 0 4 42 1 0 0 0 0 5 12 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 50 1 0 0 0 0 7 22 1 0 0 0 0 7 32 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 6 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 1 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 21 25 2 0 0 0 0 21 52 1 0 0 0 0 22 26 2 0 0 0 0 23 28 1 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > 70177870 > 1 > 624 > 5 > 4 > 8 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADSjBngQ8wPLIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLA0bGUIAhglgDIyAcYiYCOAAAAQAACACAAAACAAAQAQAAAAAAAAA== > (2R,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(8-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(8-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-8-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-8-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-8-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(8-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C25H29N5O2/c26-15-18-14-22(28-16-18)25(32)30-21(12-11-17-6-2-1-3-7-17)24(31)29-20-10-4-8-19-9-5-13-27-23(19)20/h1-10,13,18,21-22,28H,11-12,14-16,26H2,(H,29,31)(H,30,32)/t18-,21-,22-/m1/s1 > AHVBTJWRGJOPSC-STZQEDGTSA-N > 2.1 > 431.23212518 > C25H29N5O2 > 431.5 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)CN > C1[C@@H](CN[C@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)CN > 109 > 431.23212518 > 0 > 32 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 5 18 20 8 18 21 8 19 22 8 19 23 8 20 24 8 21 25 8 22 26 8 23 28 8 24 27 8 25 27 8 26 29 8 26 30 8 28 29 8 30 31 8 31 32 8 14 4 5 7 22 8 7 32 8 8 12 6 $$$$