66232789 -OEChem-03292409062D 29 28 0 1 0 0 0 0 0999 V2000 6.0010 0.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END > 66232789 > 1 > 141 > 4 > 2 > 6 > AAADceByMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCABAAggIAACQCAAAAAAAABAAAIEAAAAAABAgAAAAQAAEEAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-(3-aminobutylsulfanyl)butanoic acid > 3-(3-aminobutylthio)butanoic acid > 3-(3-aminobutylsulfanyl)butanoic acid > 3-(3-aminobutylsulfanyl)butanoic acid > 3-(3-azanylbutylsulfanyl)butanoic acid > 3-(3-aminobutylthio)butyric acid > InChI=1S/C8H17NO2S/c1-6(9)3-4-12-7(2)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) > DMQIGXKYDZACON-UHFFFAOYSA-N > -1.6 > 191.09799996 > C8H17NO2S > 191.29 > CC(CCSC(C)CC(=O)O)N > CC(CCSC(C)CC(=O)O)N > 88.6 > 191.09799996 > 0 > 12 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 6 4 3 8 11 3 $$$$