70177952 -OEChem-04252408412D 68 71 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 11.6418 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.3441 0.0000 C 0 0 1 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 13.7121 -0.6624 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 13.8932 -2.3850 0.0000 C 0 0 0 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 14.8877 -2.2805 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 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 8.9962 3.6559 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 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 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 10.2082 -1.6818 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 8.9962 -1.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 -0.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9643 -0.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1457 -0.4103 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 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 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 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 6.3981 -0.2241 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 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 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 21 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 43 1 0 0 0 0 10 5 1 1 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 16 6 1 1 0 0 0 6 44 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 55 1 0 0 0 0 8 19 1 0 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 29 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 6 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 45 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 21 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 25 28 2 0 0 0 0 25 59 1 0 0 0 0 26 31 1 0 0 0 0 26 60 1 0 0 0 0 27 30 2 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 70177952 > 1 > 758 > 6 > 4 > 9 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAQAAAADCjBngQ+wPPIEACoAzV3VACCgCAxEiAI2KG4dJgIYPLA0bGUIAhglgDIyAcciYCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S,4R)-4-[(2-aminoacetyl)-methyl-amino]-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > (2S,4R)-4-[(2-amino-1-oxoethyl)-methylamino]-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide > (2S,4R)-4-[(2-aminoacetyl)-methylamino]-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-[(2-aminoacetyl)-methylamino]-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-[2-azanylethanoyl(methyl)amino]-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide > (2S,4R)-4-[glycyl(methyl)amino]-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide > InChI=1S/C27H32N6O3/c1-33(25(34)15-28)21-14-24(30-17-21)27(36)32-23(12-11-18-7-3-2-4-8-18)26(35)31-20-13-19-9-5-6-10-22(19)29-16-20/h2-10,13,16,21,23-24,30H,11-12,14-15,17,28H2,1H3,(H,31,35)(H,32,36)/t21-,23-,24+/m1/s1 > RVIXWQMVVHJPNF-JRFVFWCSSA-N > 1.5 > 488.25358890 > C27H32N6O3 > 488.6 > CN(C1CC(NC1)C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)CN > CN([C@@H]1C[C@H](NC1)C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)CN > 129 > 488.25358890 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 6 22 24 8 22 25 8 23 26 8 23 29 8 24 27 8 25 28 8 26 31 8 27 30 8 28 30 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 10 5 5 16 6 5 9 29 8 9 32 8 $$$$