Mrv1533004241514592D 12 11 0 0 0 0 999 V2000 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > NP0186468 > NP-MRD > CS(=O)CCNC(=O)C(O)CN > InChI=1S/C6H14N2O3S/c1-12(11)3-2-8-6(10)5(9)4-7/h5,9H,2-4,7H2,1H3,(H,8,10) > LIXIGMFHHIXHET-UHFFFAOYSA-N > C6H14N2O3S > 194.25 > 194.072513493 > 4 > 26 > 19.616219845345732 > 1 > 3 > 0 > 0 > 3-amino-2-hydroxy-N-(2-methanesulfinylethyl)propanamide > -1.98 > -3.6360892023333324 > -0.50 > 0 > 0 > 1 > 15.452178593268322 > 12.826995509385007 > 8.289129489210426 > 92.42 > 47.5989 > 5 > 1 > 6.20e+01 g/l > 3-amino-2-hydroxy-N-(2-methanesulfinylethyl)propanamide > 0 > NP0186468 > 3-amino-2-hydroxy-n-(2-methanesulfinylethyl)propanimidic acid $$$$