Mrv1652309102208332D 12 11 0 0 1 0 999 V2000 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 S 0 3 2 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 M CHG 2 2 1 3 -1 M END > NP0296772 > NP-MRD > C[S@+]([O-])CCN=C(O)[C@H](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)/t5-,12+/m1/s1 > LIXIGMFHHIXHET-KQDJYFMNSA-N > C6H14N2O3S > 194.25 > 194.072513493 > 5 > 26 > 19.86734581311447 > 1 > 3 > 0 > 0 > (2R)-3-amino-2-hydroxy-N-{2-[(S)-methanesulfinyl]ethyl}propanimidic acid > -5.082711874806331 > 0 > 0 > 1 > 14.061762116643852 > 1.8622492837894318 > 9.47936106474946 > 95.91 > 48.120599999999996 > 5 > 1 > (2R)-3-amino-2-hydroxy-N-{2-[(S)-methanesulfinyl]ethyl}propanimidic acid > 0 > NP0296772 > (2r)-3-amino-2-hydroxy-n-{2-[(s)-methanesulfinyl]ethyl}propanimidic acid $$$$