70878788 -OEChem-05062403542D 78 82 0 1 0 0 0 0 0999 V2000 9.8622 1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6827 -3.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 4.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0839 -2.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 -1.3924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4962 -1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1871 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.6465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0785 -2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -3.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 -3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6663 -2.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4852 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6608 -2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4797 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0675 -1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 4.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1085 -1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8897 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 -2.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3716 -0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1152 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 3.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 2.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 -4.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6957 -3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4141 -3.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1208 -0.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3442 -4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4276 -5.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -3.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7319 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6841 -1.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 4.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9444 -6.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8105 -6.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9476 -5.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2142 5.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 6.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 5.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 33 1 0 0 0 0 4 40 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 9 6 1 6 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 14 7 1 6 0 0 0 7 23 1 0 0 0 0 7 55 1 0 0 0 0 8 35 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 24 1 0 0 0 0 19 56 1 0 0 0 0 20 25 2 0 0 0 0 20 57 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 30 1 0 0 0 0 24 26 2 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 29 32 2 0 0 0 0 29 64 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 34 36 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 38 41 1 0 0 0 0 38 72 1 0 0 0 0 39 42 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 42 2 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > 70878788 > 1 > 900 > 5 > 1 > 10 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAACx9AAAHgAQAAAADCzBngY+xvPIFACoAzV3VACCiCA1IiAI2KG+bNgMZvrE9buUMahk1hHI6ceYyeCeIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > N-[(1R)-2-[(3R)-3-(N-butanoylanilino)pyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]quinoline-3-carboxamide > N-[(2R)-3-(4-methoxyphenyl)-1-oxo-1-[(3R)-3-[N-(1-oxobutyl)anilino]-1-pyrrolidinyl]propan-2-yl]-3-quinolinecarboxamide > N-[(2R)-1-[(3R)-3-(N-butanoylanilino)pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]quinoline-3-carboxamide > N-[(2R)-1-[(3R)-3-(N-butanoylanilino)pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]quinoline-3-carboxamide > N-[(2R)-1-[(3R)-3-[butanoyl(phenyl)amino]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide > N-[(1R)-2-[(3R)-3-(N-butyrylanilino)pyrrolidino]-2-keto-1-p-anisyl-ethyl]quinoline-3-carboxamide > InChI=1S/C34H36N4O4/c1-3-9-32(39)38(27-11-5-4-6-12-27)28-18-19-37(23-28)34(41)31(20-24-14-16-29(42-2)17-15-24)36-33(40)26-21-25-10-7-8-13-30(25)35-22-26/h4-8,10-17,21-22,28,31H,3,9,18-20,23H2,1-2H3,(H,36,40)/t28-,31-/m1/s1 > UIXLGZMHEAXXAI-GRKNLSHJSA-N > 5 > 564.27365564 > C34H36N4O4 > 564.7 > CCCC(=O)N(C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C3=CC4=CC=CC=C4N=C3)C5=CC=CC=C5 > CCCC(=O)N([C@@H]1CCN(C1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)C3=CC4=CC=CC=C4N=C3)C5=CC=CC=C5 > 91.8 > 564.27365564 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 19 8 15 20 8 19 24 8 20 25 8 21 28 8 21 29 8 24 26 8 25 26 8 28 31 8 29 32 8 30 34 8 30 35 8 31 33 8 32 33 8 34 36 8 36 37 8 36 38 8 37 39 8 38 41 8 39 42 8 41 42 8 9 6 6 14 7 6 8 35 8 8 37 8 $$$$