4472502 -OEChem-03292407442D 31 31 0 1 0 0 0 0 0999 V2000 5.0576 1.0768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4767 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 1.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -0.4620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 0.1258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 0.1258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3177 -0.1832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0576 2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5256 -1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -0.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 -0.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -1.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 0.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 2.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 2.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 2.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 1.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 0.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 -1.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 -2.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4727 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 29 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 14 2 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END > 4472502 > 1 > 306 > 7 > 4 > 4 > AAADccByOABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQCAAADSjlwAaCCALAAggIAACQCAAAAABAABAAAIGIAAACEBwgACAEQAAHMACwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid > 2-(1-carboxy-2-hydroxyethyl)-5,5-dimethyl-4-thiazolidinecarboxylic acid > 2-(1-carboxy-2-hydroxyethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid > 2-(1-carboxy-2-hydroxyethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid > 2-[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid > 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid > InChI=1S/C9H15NO5S/c1-9(2)5(8(14)15)10-6(16-9)4(3-11)7(12)13/h4-6,10-11H,3H2,1-2H3,(H,12,13)(H,14,15) > NVIIKEPLEZSMNU-UHFFFAOYSA-N > -2.8 > 249.06709375 > C9H15NO5S > 249.29 > CC1(C(NC(S1)C(CO)C(=O)O)C(=O)O)C > CC1(C(NC(S1)C(CO)C(=O)O)C(=O)O)C > 132 > 249.06709375 > 0 > 16 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 3 11 15 3 9 14 3 $$$$