66217897 -OEChem-03282414322D 26 25 0 1 0 0 0 0 0999 V2000 5.1350 -0.0600 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 3.4030 -0.0600 0.0000 C 0 0 3 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 6.8671 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4400 0.0000 C 0 0 0 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 8.5991 -0.0600 0.0000 C 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 4.6675 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 6.4685 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.9149 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 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 6 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 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 M END > 66217897 > 1 > 119 > 4 > 2 > 6 > AAADccBiMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCABAAggIAACQCAAAAAAAABAAAIEAAAAAABAgAAAAQAAEEAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-(2-aminopropylsulfanyl)butanoic acid > 4-(2-aminopropylthio)butanoic acid > 4-(2-aminopropylsulfanyl)butanoic acid > 4-(2-aminopropylsulfanyl)butanoic acid > 4-(2-azanylpropylsulfanyl)butanoic acid > 4-(2-aminopropylthio)butyric acid > InChI=1S/C7H15NO2S/c1-6(8)5-11-4-2-3-7(9)10/h6H,2-5,8H2,1H3,(H,9,10) > DZSRONCPTUPFMQ-UHFFFAOYSA-N > -2.1 > 177.08234989 > C7H15NO2S > 177.27 > CC(CSCCCC(=O)O)N > CC(CSCCCC(=O)O)N > 88.6 > 177.08234989 > 0 > 11 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 4 3 $$$$