25271577 -OEChem-10051720563D 57 59 0 1 0 0 0 0 0999 V2000 -0.9135 -0.4937 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 1.7637 -0.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 0.6853 0.9883 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7527 -0.2792 -0.2788 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 2.2296 -0.6026 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 0.0406 1.1505 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3018 0.4124 2.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 1.7641 2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 1.6280 2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 0.3061 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 0.9524 0.0904 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7821 0.0458 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 0.6160 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -1.3290 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 0.7080 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7717 0.0388 -1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 -2.4309 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.3604 -1.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -1.4812 1.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 1.6612 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 -0.3050 -2.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -3.6848 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 0.9657 -1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 -2.7352 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 2.2665 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 -3.8369 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6596 1.9187 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -1.7875 -2.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 -1.0416 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9067 -0.3171 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 0.4612 2.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2313 2.5624 2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 1.9968 3.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 2.5903 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 1.1844 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 1.1667 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 -0.1315 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 -1.2056 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 2.7818 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 2.7946 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0051 1.1071 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -0.5210 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 -2.3348 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 -0.3704 -2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 -0.6513 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 1.9415 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -0.0087 -3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 0.2688 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 -4.5433 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 0.6969 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -2.8533 3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1026 3.0037 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 -4.8131 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 2.3894 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 -2.1087 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 -2.3944 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 -1.9947 -3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 11 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 44 1 0 0 0 0 19 24 2 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 46 1 0 0 0 0 21 28 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END > DB07083 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HZKKJPDVZGOOPU-PZJWPPBQSA-N/SDF?record_type=3d > [H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC > InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1 > HZKKJPDVZGOOPU-PZJWPPBQSA-N > C23H29N3O2 > 379.4953 > 379.225977187 > 3 > 57 > 0.8209808169737818 > 42.205221973362434 > 1 > 2 > 0 > 1 > (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide > 2.60 > 2.6086022340000006 > -4.48 > 1 > 1 > 3 > 1 > 19.843712733058155 > 15.590898240482776 > 7.661433437507043 > 75.43 > 110.66090000000001 > 7 > 1 > 1.27e-02 g/l > tetrahydrofolic acid > 0 $$$$