6323178 -OEChem-10051720523D 38 38 0 1 0 0 0 0 0999 V2000 4.0190 1.3799 0.4532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 2.7507 -0.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -1.2412 -0.6908 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 0.1655 1.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 -0.3867 0.2869 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6952 0.1700 -0.2046 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4288 -1.8422 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 0.3590 -0.2665 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6819 -0.9381 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -2.2412 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -0.2914 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 0.4243 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 1.7940 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 -0.2624 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9347 0.4067 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2029 -0.2469 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3413 -0.3448 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 0.3455 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -2.4950 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -1.9386 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 0.3667 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -0.9196 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -0.8208 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -2.8335 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 -2.8538 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 -0.2908 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.3380 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4062 1.4692 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 0.4300 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 1.9460 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 1.6351 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -0.2620 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -1.3158 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9307 0.3647 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 1.4654 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3484 -1.5402 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6066 -1.7162 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5304 -0.3704 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 16 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END > DB06861 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FCDJKFJACUMSOZ-AXFHLTTASA-N/SDF?record_type=3d > [H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O > InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1 > FCDJKFJACUMSOZ-AXFHLTTASA-N > C12H22N2O2 > 226.3153 > 226.168127958 > 4 > 38 > 0.9999986604238222 > 25.68559600379541 > 1 > 3 > 0 > 1 > (6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide > 0.80 > 0.430713011666667 > -2.71 > 0 > 1 > 1 > 1 > 17.993376018427718 > 14.929825114707457 > 12.876835889707236 > 87.17 > 73.54729999999999 > 7 > 1 > 4.37e-01 g/l > biotin > 0 $$$$