22390002 -OEChem-03192402042D 23 22 0 1 0 0 0 0 0999 V2000 6.0010 -0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 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 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END > 22390002 > 1 > 118 > 4 > 2 > 4 > AAADccBiMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCABAAggIAACQCAAAAAAAABAAAIGAAAACABAgAAAAQAAEEAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-amino-3-ethylsulfanyl-butanoic acid > 2-amino-3-(ethylthio)butanoic acid > 2-amino-3-ethylsulfanylbutanoic acid > 2-amino-3-ethylsulfanylbutanoic acid > 2-azanyl-3-ethylsulfanyl-butanoic acid > 2-amino-3-(ethylthio)butyric acid > InChI=1S/C6H13NO2S/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) > QPYUHWMZRBTZGU-UHFFFAOYSA-N > -1.9 > 163.06669983 > C6H13NO2S > 163.24 > CCSC(C)C(C(=O)O)N > CCSC(C)C(C(=O)O)N > 88.6 > 163.06669983 > 0 > 10 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 6 4 3 5 7 3 $$$$