145742 -OEChem-11291912073D 17 17 0 1 0 0 0 0 0999 V2000 2.1617 -0.9509 -0.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 1.2164 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 0.9314 0.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -0.2476 0.7251 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7235 -1.3171 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9888 -0.6106 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 0.8635 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 0.1149 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -0.5522 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 -2.1429 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -1.7411 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.9157 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 -0.8485 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 1.1932 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 1.4831 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 1.8003 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -0.7341 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END > DB00172 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ONIBWKKTOPOVIA-BYPYZUCNSA-N/SDF?record_type=3d > OC(=O)[C@@H]1CCCN1 > InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 > ONIBWKKTOPOVIA-BYPYZUCNSA-N > C5H9NO2 > 115.1305 > 115.063328537 > 3 > 17 > 11.50403298353395 > 1 > 2 > 0 > 0 > (2S)-pyrrolidine-2-carboxylic acid > -2.71 > -2.568638276039985 > 0.50 > 0 > 1 > 0 > 1.9406707712827915 > 11.332026115136207 > 49.33 > 28.064299999999996 > 1 > 1 > 3.65e+02 g/l > palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide > 0 $$$$