94364 -OEChem-03292411362D 19 18 0 1 0 0 0 0 0999 V2000 5.4641 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 6 5 1 1 0 0 0 5 9 1 0 0 0 0 5 14 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 7 12 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > 94364 > 1 > 148 > 4 > 3 > 3 > AAADccBiMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCALAAgQIAAGQGAAAAAAAAAAAAIGIAAACAAAAACAAQAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-acetamido-3-sulfanyl-propanoic acid > (2S)-2-acetamido-3-mercaptopropanoic acid > (2S)-2-acetamido-3-sulfanylpropanoic acid > (2S)-2-acetamido-3-sulfanylpropanoic acid > (2S)-2-acetamido-3-sulfanyl-propanoic acid > (2S)-2-acetamido-3-mercapto-propionic acid > InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1 > PWKSKIMOESPYIA-SCSAIBSYSA-N > 0.4 > 163.03031432 > C5H9NO3S > 163.20 > CC(=O)NC(CS)C(=O)O > CC(=O)N[C@H](CS)C(=O)O > 67.4 > 163.03031432 > 0 > 10 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 6 5 5 $$$$