70174990 -OEChem-05112416342D 67 70 0 1 0 0 0 0 0999 V2000 9.8622 0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6418 -0.1908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6134 -3.8361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8109 -1.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8327 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.5975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3109 -0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2176 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2121 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6189 -3.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1301 0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 -1.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 -2.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7607 0.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 -1.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7257 -0.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -2.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2609 -3.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7707 0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8137 -2.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1689 -2.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0173 -3.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6621 -4.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 0.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8656 -4.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9778 -3.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 2.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 4.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 4.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 5.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 43 1 0 0 0 0 4 14 1 0 0 0 0 16 4 1 1 0 0 0 4 46 1 0 0 0 0 5 15 1 0 0 0 0 5 54 1 0 0 0 0 5 55 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 6 56 1 0 0 0 0 7 27 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 1 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 1 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 23 26 2 0 0 0 0 23 58 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 25 28 2 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > 70174990 > 1 > 653 > 5 > 4 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADSjBngQ8wPLIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLAkbGUIAhglgDIyAcYiYCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S,4S)-4-(3-aminopropyl)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2S,4S)-4-(3-aminopropyl)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2S,4S)-4-(3-aminopropyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4S)-4-(3-aminopropyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4S)-4-(3-azanylpropyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4S)-4-(3-aminopropyl)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C27H33N5O2/c28-14-6-9-20-15-25(29-17-20)27(34)32-24(13-12-19-7-2-1-3-8-19)26(33)31-22-16-21-10-4-5-11-23(21)30-18-22/h1-5,7-8,10-11,16,18,20,24-25,29H,6,9,12-15,17,28H2,(H,31,33)(H,32,34)/t20-,24+,25-/m0/s1 > GHISTTQGCWUFJD-AMDXRBSFSA-N > 2.9 > 459.26342531 > C27H33N5O2 > 459.6 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)CCCN > C1[C@@H](CN[C@@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)CCCN > 109 > 459.26342531 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 20 22 8 20 23 8 21 24 8 21 27 8 22 25 8 23 26 8 24 29 8 25 28 8 26 28 8 29 30 8 29 31 8 30 32 8 31 33 8 32 34 8 33 34 8 16 4 5 7 27 8 7 30 8 8 12 5 $$$$