445883 -OEChem-02192012323D 20 19 0 1 0 0 0 0 0999 V2000 -2.0331 0.5735 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2707 1.1457 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 -0.9566 -0.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -1.7935 0.2761 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 1.5682 0.6136 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -0.8795 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -0.6170 0.5434 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0480 0.3318 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 0.5535 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 0.0738 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.7468 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 -1.1379 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -0.4242 1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 1.2006 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.5719 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 -2.5952 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 -2.0382 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8502 2.3900 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3306 1.5418 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.9861 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M END > DB03091 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AEFLONBTGZFSGQ-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CCC(O)=O)C(N)=O > InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1 > AEFLONBTGZFSGQ-VKHMYHEASA-N > C5H10N2O3 > 146.1445 > 146.069142196 > 4 > 20 > -0.03146734369333304 > 13.895394227063699 > 1 > 3 > 0 > 0 > (4S)-4-amino-4-carbamoylbutanoic acid > -3.45 > -4.003574903751504 > -0.26 > 0 > 0 > 0 > 0 > 15.941973935379139 > 4.059254389106297 > 8.456847594808744 > 106.41 > 33.1099 > 4 > 1 > 7.97e+01 g/l > nitrilotriacetic acid > 0 $$$$