11117974 -OEChem-10051721263D 31 32 0 1 0 0 0 0 0999 V2000 -1.4425 2.4893 0.9964 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 -1.5815 0.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 -1.7645 -1.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 2.1557 -0.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -0.6139 0.4191 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.4194 -0.2225 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2814 1.3153 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 0.0508 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 1.7890 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -0.8169 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.2022 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -0.2647 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 3.4034 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.9676 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -1.4120 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -2.2638 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1998 -1.1400 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 0.3465 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 1.9104 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 1.0596 -2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 -1.2795 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 0.2646 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 0.9722 -0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 0.3919 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 4.0308 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0746 3.1759 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 3.9454 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -2.6562 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 -1.6371 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 -3.1599 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5229 -2.4581 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 17 1 0 0 0 0 2 31 1 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > DB08717 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CLWDLBDPVUWYEW-JTQLQIEISA-N/SDF?record_type=3d > [H][C@@]1(CC(O)=O)NC2=CC=CC=C2CN(C)C1=O > InChI=1S/C12H14N2O3/c1-14-7-8-4-2-3-5-9(8)13-10(12(14)17)6-11(15)16/h2-5,10,13H,6-7H2,1H3,(H,15,16)/t10-/m0/s1 > CLWDLBDPVUWYEW-JTQLQIEISA-N > C12H14N2O3 > 234.2512 > 234.100442324 > 4 > 31 > -0.9973710287372595 > 23.600094016659362 > 1 > 2 > 0 > 1 > 2-[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid > 0.39 > 0.24259640300000018 > -1.81 > 0 > -1 > 2 > -1 > 14.557550790316931 > 4.422799676947029 > 1.3354633859361302 > 69.64 > 63.03590000000003 > 2 > 1 > 3.67e+00 g/l > biotin > 0 $$$$