445032 -OEChem-12011913403D 28 27 0 1 0 0 0 0 0999 V2000 -3.2719 -0.7771 1.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 0.1195 -0.3333 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6711 1.9658 0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6793 -0.8766 -1.0918 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 1.1663 -0.3315 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -0.9908 0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 0.5302 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.7185 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 0.8045 -0.2820 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3249 -0.9836 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.3467 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 0.1069 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 0.3877 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 1.4088 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -1.6011 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -0.5891 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 1.0215 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -1.8893 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -1.1239 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 0.9281 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 1.7845 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 2.1420 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 -1.6553 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5064 -0.5196 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 1.9835 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4056 1.1515 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 -1.7919 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -1.0232 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M CHG 1 2 1 M END > DB02299 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULEBESPCVWBNIF-BYPYZUCNSA-O/SDF?record_type=3d > N[C@@H](CCCNC(N)=[NH2+])C(N)=O > InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1 > ULEBESPCVWBNIF-BYPYZUCNSA-O > C6H16N5O > 174.2241 > 174.135485159 > 4 > 28 > 18.753298785900455 > 1 > 5 > 1 > 0 > [amino({[(4S)-4-amino-4-carbamoylbutyl]amino})methylidene]azanium > -0.32 > -2.295894032333334 > -0.94 > 0 > 0 > 2 > 16.310500053560574 > 12.397484307144643 > 132.75 > 56.5453 > 5 > 1 > 2.41e+01 g/l > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3S)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-oxopentadecyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid > 0 $$$$