70176377 -OEChem-05072404052D 64 67 0 1 0 0 0 0 0999 V2000 10.7282 -0.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5078 0.6998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.1066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0782 3.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6769 2.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6988 2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1769 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0837 3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.6065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2867 2.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6340 2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 2.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5918 0.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6785 1.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1269 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3303 3.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4426 2.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 -0.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 -0.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -4.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7263 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 40 1 0 0 0 0 4 13 1 0 0 0 0 14 4 1 6 0 0 0 4 43 1 0 0 0 0 5 12 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 51 1 0 0 0 0 7 26 2 0 0 0 0 7 29 1 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 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 6 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 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 52 1 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 21 24 2 0 0 0 0 21 55 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > 70176377 > 1 > 638 > 5 > 4 > 9 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADSjBngQ8wPLIEACoAzV3VACCgCAxAiAI2KG4ZJgIYPLA0bGUIAhglgDIyAcYicCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(3-quinolylmethylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylmethylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(3-quinolylmethylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C26H31N5O2/c27-14-19-13-24(29-15-19)26(33)31-23(11-10-18-6-2-1-3-7-18)25(32)30-17-20-12-21-8-4-5-9-22(21)28-16-20/h1-9,12,16,19,23-24,29H,10-11,13-15,17,27H2,(H,30,32)(H,31,33)/t19-,23-,24+/m1/s1 > AFJOJCWWOJIKQU-FOVJLYNBSA-N > 2.1 > 445.24777525 > C26H31N5O2 > 445.6 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NCC3=CC4=CC=CC=C4N=C3)CN > C1[C@@H](CN[C@@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NCC3=CC4=CC=CC=C4N=C3)CN > 109 > 445.24777525 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 6 18 20 8 18 21 8 20 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 27 8 25 28 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 14 4 6 7 26 8 7 29 8 8 12 6 $$$$