70176123 -OEChem-05092423162D 65 68 0 1 0 0 0 0 0999 V2000 9.8622 0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4865 -3.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8327 -2.3386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3054 -1.5760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4755 -3.0895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.8441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 -1.6805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7282 -1.3441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6418 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8109 -2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1301 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8932 -2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -2.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1433 -0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3318 -0.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6193 -3.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3773 -2.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3720 -2.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5576 -1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 0.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 0.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 0.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4450 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7168 -1.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0921 -3.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2233 -3.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 3.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 3.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 42 1 0 0 0 0 10 5 1 1 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 6 14 1 0 0 0 0 15 6 1 1 0 0 0 6 45 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 7 52 1 0 0 0 0 8 20 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 28 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 1 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 57 1 0 0 0 0 26 30 2 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 70176123 > 1 > 728 > 6 > 5 > 9 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADCjBngQ8wPLIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLA0bGUIAhglgDIyAcciYCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,4R)-4-[(2-aminoacetyl)amino]-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2R,4R)-4-[(2-amino-1-oxoethyl)amino]-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2R,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(2-azanylethanoylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2R,4R)-4-(glycylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C26H30N6O3/c27-14-24(33)30-20-13-23(29-16-20)26(35)32-22(11-10-17-6-2-1-3-7-17)25(34)31-19-12-18-8-4-5-9-21(18)28-15-19/h1-9,12,15,20,22-23,29H,10-11,13-14,16,27H2,(H,30,33)(H,31,34)(H,32,35)/t20-,22-,23-/m1/s1 > OAHQJSOLFLOJIS-YMPZKCBVSA-N > 1.3 > 474.23793884 > C26H30N6O3 > 474.6 > C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)CN > C1[C@H](CN[C@H]1C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)CN > 138 > 474.23793884 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 5 21 23 8 21 24 8 22 25 8 22 28 8 23 26 8 24 27 8 25 29 8 26 30 8 27 30 8 29 31 8 29 32 8 31 33 8 32 34 8 33 35 8 34 35 8 10 5 5 15 6 5 9 28 8 9 31 8 $$$$