70286693 -OEChem-04262422132D 61 64 0 1 0 0 0 0 0999 V2000 10.7282 -0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0532 1.7236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 4.3972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 2.6747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6712 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3622 2.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 3.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8642 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -4.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -4.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0807 3.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9812 1.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2376 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 0.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 3.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7557 2.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4635 1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3807 3.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4640 3.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -0.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -1.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 4.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9266 4.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 -1.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -2.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -4.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -5.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -3.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -4.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -4.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -5.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -4.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 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 39 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 42 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 18 1 0 0 0 0 6 21 1 0 0 0 0 6 52 1 0 0 0 0 7 27 2 0 0 0 0 7 28 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 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 43 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 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 23 2 0 0 0 0 20 51 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > 70286693 > 1 > 624 > 5 > 4 > 8 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADSjBngQ8wPLIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLA1bGUIAhglgDIyAccicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S,4S)-4-(aminomethyl)-N-[4-oxo-3-phenyl-4-(3-quinolylamino)butyl]pyrrolidine-2-carboxamide > (2S,4S)-4-(aminomethyl)-N-[4-oxo-3-phenyl-4-(3-quinolinylamino)butyl]-2-pyrrolidinecarboxamide > (2S,4S)-4-(aminomethyl)-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide > (2S,4S)-4-(aminomethyl)-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide > (2S,4S)-4-(aminomethyl)-N-[4-oxidanylidene-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide > (2S,4S)-4-(aminomethyl)-N-[4-keto-3-phenyl-4-(3-quinolylamino)butyl]pyrrolidine-2-carboxamide > InChI=1S/C25H29N5O2/c26-14-17-12-23(28-15-17)25(32)27-11-10-21(18-6-2-1-3-7-18)24(31)30-20-13-19-8-4-5-9-22(19)29-16-20/h1-9,13,16-17,21,23,28H,10-12,14-15,26H2,(H,27,32)(H,30,31)/t17-,21?,23-/m0/s1 > OIINIEROXLUDOG-HLLJGLMDSA-N > 1.8 > 431.23212518 > C25H29N5O2 > 431.5 > C1C(CNC1C(=O)NCCC(C2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)CN > C1[C@H](CN[C@@H]1C(=O)NCCC(C2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)CN > 109 > 431.23212518 > 0 > 32 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 5 16 15 3 17 19 8 17 20 8 19 22 8 20 23 8 21 25 8 21 27 8 22 24 8 23 24 8 25 26 8 26 28 8 26 29 8 28 30 8 29 31 8 30 32 8 31 32 8 7 27 8 7 28 8 8 12 6 $$$$