5287847 -OEChem-10051720393D 59 60 0 1 0 0 0 0 0999 V2000 -1.8584 0.3726 0.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -1.2424 -2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6256 0.7921 0.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6259 -0.0325 -1.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 2.2263 0.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -0.3433 2.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -1.8647 -0.1259 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -0.1181 0.2888 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3607 0.5108 0.7423 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -2.8690 1.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 1.1275 -0.0258 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1808 2.2412 -0.6154 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 2.5669 0.6361 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 3.4445 -0.7094 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -1.1195 -0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5303 -0.1258 0.6870 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8410 -0.6505 0.7091 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3322 -2.0896 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1703 -1.9413 0.5405 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5403 -1.8802 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 -2.7152 -0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 -0.7415 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 -1.8606 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 0.0214 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 1.0994 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1661 -0.0107 1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2824 0.2846 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6528 0.8824 -0.6349 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4398 0.7593 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6381 0.8617 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8068 2.4141 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -0.5824 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -0.5506 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 -0.9222 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 -2.9813 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 -1.5722 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -2.6234 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -2.4229 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -3.5881 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8016 -3.1038 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -1.0883 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -0.0455 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 0.3374 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 -0.6431 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 0.2029 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1214 0.6023 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5082 1.0518 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 -2.4337 1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7397 -3.6855 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4718 2.8836 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4101 2.5390 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 1.3322 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5885 1.2633 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8423 -0.2111 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 1.5878 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4064 0.0599 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 1.8152 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 3.4625 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 4.2468 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 23 2 0 0 0 0 3 25 1 0 0 0 0 3 55 1 0 0 0 0 4 28 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 15 1 0 0 0 0 7 23 1 0 0 0 0 7 38 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 26 1 0 0 0 0 9 28 1 0 0 0 0 9 46 1 0 0 0 0 10 19 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 28 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 31 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 31 2 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 25 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > DB04649 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MVFPGTZTOAHVBP-HXYLPHSESA-N/SDF?record_type=3d > CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=C[C@@](N)(O)NC1=O)C(N)=N > InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1 > MVFPGTZTOAHVBP-HXYLPHSESA-N > C17H28N8O6 > 440.4542 > 440.213180668 > 11 > 59 > 1.3426099905250253 > 43.40823125328493 > 0 > 8 > 0 > 0 > (2S,3S,6R)-6-[(4S)-4-amino-4-hydroxy-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid > -3.19 > -5.199674151975326 > -2.83 > 0 > 2 > 2 > 1 > 10.095319712019311 > 3.323157638472369 > 12.247903693905556 > 233.35000000000002 > 119.32719999999998 > 8 > 0 > 6.59e-01 g/l > tetrahydrofolic acid > 0 $$$$