439202 -OEChem-11151910403D 24 23 0 1 0 0 0 0 0999 V2000 -1.4798 -0.2060 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 -1.5636 0.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 -0.0262 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3868 1.7768 -0.2491 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 0.5679 0.2588 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9405 0.4673 0.1444 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -1.3457 -0.6016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -0.2403 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 0.4758 0.4057 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3271 0.5422 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -0.3638 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6987 -0.0844 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -1.2074 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -0.4988 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 0.6275 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 0.7772 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 1.4835 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 1.6621 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 2.1951 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -2.1030 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0443 1.3950 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 -0.0335 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 -1.7832 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 -1.8742 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > DB01833 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FSBIGDSBMBYOPN-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CCONC(N)=N)C(O)=O > InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 > FSBIGDSBMBYOPN-VKHMYHEASA-N > C5H12N4O3 > 176.1738 > 176.09094027 > 7 > 24 > 17.023159241488404 > 1 > 5 > 0 > 0 > (2S)-2-amino-4-(carbamimidamidooxy)butanoic acid > -3.7018804133845005 > 0 > 0 > 1 > 19.225501258806357 > 2.1032409501189444 > 10.343629284146132 > 134.45000000000002 > 61.2436 > 5 > 1 > (L)-canavanine > 0 $$$$