123831 -OEChem-10051719403D 32 31 0 1 0 0 0 0 0999 V2000 -4.3889 -0.4836 -1.2116 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0695 -0.8089 1.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1905 1.9565 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 -0.2056 -0.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 0.5220 -0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 -1.6867 0.5125 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 0.4003 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -0.7916 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 0.8695 -0.1458 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5356 -1.2753 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7773 -0.2262 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 -0.4682 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 0.3069 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.8909 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6361 1.2371 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 0.1066 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 -1.6300 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.5025 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6908 1.2243 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4831 -1.5866 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 -2.1447 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 2.3338 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 2.7233 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 1.1908 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -0.5124 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 0.0697 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 2.3987 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.8972 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 2.4754 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 -2.4739 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -1.8504 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0698 -1.1848 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 32 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END > DB01686 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YDGMGEXADBMOMJ-LURJTMIESA-N/SDF?record_type=3d > N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O > InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 > YDGMGEXADBMOMJ-LURJTMIESA-N > C8H18N4O2 > 202.2541 > 202.14297584 > 6 > 32 > 0.9924580462780641 > 22.186030281533096 > 1 > 3 > 0 > 0 > (2S)-2-amino-5-[(E)-[amino(dimethylamino)methylidene]amino]pentanoic acid > -3.13 > -2.6729980412943983 > -1.48 > 0 > 1 > 0 > 1 > 2.539262506302749 > 12.34050755300345 > 104.94 > 53.699600000000004 > 5 > 1 > 6.77e+00 g/l > biotin > 0 $$$$