3084726 -OEChem-10061700213D 48 50 0 1 0 0 0 0 0999 V2000 -0.3678 -0.6483 1.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 -1.3849 -2.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 -0.6226 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 1.4532 -0.4813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 -1.1556 -0.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 -0.3849 -1.6047 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 0.5151 2.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 -0.0566 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 -0.6418 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -1.7778 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 -0.8067 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 1.4662 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -1.0216 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -0.7736 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2241 -1.4437 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4268 -0.6545 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 2.1306 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 -1.6456 -0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 2.1961 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 -0.4869 0.9750 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5998 -1.3370 1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7709 3.5171 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -2.3279 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 3.5826 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 -2.1736 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 4.2431 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 0.2397 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -0.1585 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 -2.2817 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -2.5375 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -0.0134 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0867 -0.2502 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -2.2330 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -1.9477 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 -0.0033 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.5823 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 -1.7947 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 1.7358 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 -1.0520 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0457 -1.2159 2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 4.0316 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0985 -2.9794 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 4.1489 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1148 -2.7045 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 5.3227 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 1.0961 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 0.0505 2.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 -0.1523 -2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 13 2 0 0 0 0 3 27 1 0 0 0 0 3 48 1 0 0 0 0 4 27 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 28 1 0 0 0 0 7 20 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 16 2 0 0 0 0 11 18 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 24 2 0 0 0 0 19 38 1 0 0 0 0 20 27 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > DB13396 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PAJBBDCZSMDSFL-UHFFFAOYSA-N/SDF?record_type=3d > NC(CCCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O > InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25) > PAJBBDCZSMDSFL-UHFFFAOYSA-N > C20H21N3O4 > 367.405 > 367.153206168 > 5 > 48 > 38.127126128109154 > 1 > 3 > 0 > 0 > 2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid > 0.82 > -0.4206971295968036 > -4.32 > 1 > 3 > 0 > 10.747803474386345 > 1.6810751337982226 > 9.203122936791923 > 112.73 > 98.3687 > 7 > 1 > 1.77e-02 g/l > 2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid > 0 $$$$