6137 -OEChem-11291912033D 20 19 0 1 0 0 0 0 0999 V2000 2.2858 0.9701 0.2797 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.6402 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 0.3693 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -1.8775 0.4986 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -0.8111 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -0.6533 0.3686 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2656 0.4223 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 0.4754 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -0.5355 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.6832 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -1.0435 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -0.4839 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.2591 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.2090 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -1.8082 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -2.6701 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -1.3256 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -0.3183 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.8794 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 2.3619 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > DB00134 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FFEARJCKVFRZRR-BYPYZUCNSA-N/SDF?record_type=3d > CSCC[C@H](N)C(O)=O > InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 > FFEARJCKVFRZRR-BYPYZUCNSA-N > C5H11NO2S > 149.211 > 149.051049291 > 3 > 20 > 15.504513637142049 > 1 > 2 > 0 > 0 > (2S)-2-amino-4-(methylsulfanyl)butanoic acid > -1.85 > -2.189326616871282 > -0.80 > 0 > 0 > 0 > 2.5319210041042344 > 9.502323343916569 > 63.31999999999999 > 37.586000000000006 > 4 > 1 > 2.39e+01 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 $$$$