448718 -OEChem-12081911483D 38 37 0 1 0 0 0 0 0999 V2000 -3.0023 -2.3208 -0.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 -1.8155 1.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -1.3522 -2.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 0.9089 -2.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 -1.7837 1.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -1.1580 2.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 1.2045 0.0223 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1281 1.2084 0.4193 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 0.4834 -0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 3.0984 0.8963 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.6236 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 1.0743 0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1302 -0.2457 -0.6470 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2915 1.9552 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 -0.1389 -0.5002 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6522 -0.7187 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.8158 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 -1.5160 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -0.0973 -1.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -1.2256 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 1.5067 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 0.0590 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 0.1984 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3694 1.6420 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 -0.5215 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 2.8507 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 2.2666 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 -0.7688 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 0.0293 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8472 -1.5752 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 1.7599 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1157 -0.0563 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 1.3548 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 3.7017 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 3.4833 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9247 -3.1452 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -1.3474 -3.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 -2.1159 2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 36 1 0 0 0 0 2 18 2 0 0 0 0 3 19 1 0 0 0 0 3 37 1 0 0 0 0 4 19 2 0 0 0 0 5 20 1 0 0 0 0 5 38 1 0 0 0 0 6 20 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 31 1 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 17 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > DB02267 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KDZOASGQNOPSCU-NTSWFWBYSA-N/SDF?record_type=3d > N[C@@H](CCC\N=C(/N)N[C@H](CC(O)=O)C(O)=O)C(O)=O > InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6+/m0/s1 > KDZOASGQNOPSCU-NTSWFWBYSA-N > C10H18N4O6 > 290.2731 > 290.122634328 > 10 > 38 > 27.54850116002489 > 1 > 6 > 0 > 0 > (2R)-2-[(E)-N''-[(4S)-4-amino-4-carboxybutyl]carbamimidamido]butanedioic acid > -3.20 > -5.851917609354382 > -2.33 > 0 > 0 > -1 > 3.2347413296189 > 2.1357632280770917 > 11.919745187910195 > 188.33000000000004 > 65.01880000000001 > 9 > 0 > 1.37e+00 g/l > immucillin G > 0 $$$$