Mrv0541 08131209302D 15 14 0 0 0 0 999 V2000 -2.3349 1.1270 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 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6204 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 3 0 0 0 0 6 10 1 1 0 0 0 11 5 1 4 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 6 15 1 1 0 0 0 M END > M2MDB000997 > M2MDB > [H][C@](N)(CCC(O)=NCCC#N)C(O)=O > InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 > VQPVVWAFTIFKDD-LURJTMIESA-N > C8H13N3O3 > 199.2071 > 199.095691297 > 6 > 20.084176651374424 > 1 > 3 > 0 > 0 > (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid > -2.44 > -3.225940732736835 > -1.47 > 0 > 0 > 0 > 7.1862125812007696 > 1.5023139462839143 > 9.538122137864855 > 119.7 > 48.2916 > 6 > 1 > 6.80e+00 g/l > (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid > 0 > ECMDB20150 > gamma-Glutamyl-beta-aminopropiononitrile $$$$