Mrv0541 05041403582D 10 9 0 0 1 0 999 V2000 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.1434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.0164 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 1 7 1 6 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 1 10 1 6 0 0 0 M END > DB03794 > drugbank > [H][C@](N)(C(O)=O)C(F)(F)F > InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1 > HMJQKIDUCWWIBW-SFOWXEAESA-N > C3H4F3NO2 > 143.0646 > 143.019412992 > 3 > 13 > -0.9947950210281085 > 8.769578151001122 > 1 > 2 > 0 > 0 > (2S)-2-amino-3,3,3-trifluoropropanoic acid > -1.00 > -1.668207423784289 > -0.91 > 0 > -1 > 0 > -1 > 11.404104368382676 > 1.0226964418701228 > 4.728384461775935 > 63.32000000000001 > 21.1988 > 2 > 1 > 1.76e+01 g/l > biotin > 0 > DB03794 > EXPT01440 > experimental > Trifluoroalanine $$$$