70680593 -OEChem-03282416142D 21 21 0 1 0 0 0 0 0999 V2000 5.5929 0.9255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -0.6133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -0.0255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2839 -0.0255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5929 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -0.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -0.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -1.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 -0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 -0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0079 0.4404 0.0000 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 11 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 21 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 6 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END > 70680593 > 1 > 208 > 6 > 3 > 3 > AAADccBiOABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASACALAAggIAACQCAAAAABAABAAAIGIAAACAAggACAEQAACEACwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R)-2-(carboxymethyl)thiazolidine-4-carboxylic acid > (2R)-2-(carboxymethyl)-4-thiazolidinecarboxylic acid > (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid > (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid > (2R)-2-(2-hydroxy-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid > (2R)-2-(carboxymethyl)thiazolidine-4-carboxylic acid > InChI=1S/C6H9NO4S/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3?,4-/m1/s1 > WVHJAFASIMQEPY-SRBOSORUSA-N > -2.8 > 191.02522894 > C6H9NO4S > 191.21 > C1C(NC(S1)CC(=O)O)C(=O)O > C1C(N[C@H](S1)CC(=O)O)C(=O)O > 112 > 191.02522894 > 0 > 12 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 10 6 8 11 3 $$$$