70176060 -OEChem-05052420342D 61 64 0 1 0 0 0 0 0999 V2000 6.6476 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 -2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -2.6909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -1.6964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.7372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -1.1964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 -3.2310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -2.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8680 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 -1.6964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6989 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 -1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 -1.1964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3797 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 2.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 2.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 3.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -3.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -1.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 -0.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -0.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3016 -2.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 -3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 -3.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 -3.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 -1.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 -1.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -2.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 -1.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -3.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -0.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 0.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 0.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -0.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 1.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 1.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -0.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 -3.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 3.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 3.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 3.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -3.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 -0.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0455 -1.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0455 -3.0292 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 6 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 28 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 1 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 2 0 0 0 0 19 23 1 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 1 0 0 0 0 22 53 1 0 0 0 0 23 29 2 0 0 0 0 23 54 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 57 1 0 0 0 0 28 29 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 > 70176060 > 1 > 624 > 5 > 4 > 8 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADSjBngQ8wPLIEACoAzV3VACCgCAxAiAI2KG4ZJgIYPLA0bGUIAhglgDIyAcYiYCOAACAQAACAAAAAQCAAAQAAAAAAAAAAA== > (2S,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(6-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(6-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-6-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-6-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-6-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-(aminomethyl)-N-[(1R)-3-phenyl-1-(6-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C25H29N5O2/c26-15-18-13-23(28-16-18)25(32)30-22(10-8-17-5-2-1-3-6-17)24(31)29-20-9-11-21-19(14-20)7-4-12-27-21/h1-7,9,11-12,14,18,22-23,28H,8,10,13,15-16,26H2,(H,29,31)(H,30,32)/t18-,22-,23+/m1/s1 > MWHIVLDZWWNQPL-YSZBQJHXSA-N > 2.1 > 431.23212518 > C25H29N5O2 > 431.5 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)CN > C1[C@@H](CN[C@@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=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 29 8 24 27 8 25 27 8 26 28 8 26 30 8 28 29 8 30 31 8 31 32 8 14 4 6 7 28 8 7 32 8 8 12 5 $$$$