46937089 -OEChem-10051721073D 36 35 0 1 0 0 0 0 0999 V2000 -2.1580 0.5471 0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 1.3025 0.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -2.8591 1.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -0.3997 -1.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 1.6107 -0.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 -0.2470 0.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 0.7986 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 -0.8657 -0.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0788 -0.5363 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2925 1.4738 1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 1.7186 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 -0.3657 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.0654 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -2.3680 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 0.9592 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -3.2441 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 2.5403 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -0.6686 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 2.5479 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 1.2271 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2714 2.1472 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 1.7001 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 0.8354 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8219 2.4078 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -0.4228 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 -1.2928 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6927 -0.9536 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -1.0869 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -0.2542 1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 0.0312 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5331 -3.0689 -1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -3.0247 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -4.2955 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 2.4983 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 3.3695 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 2.6950 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 14 2 0 0 0 0 4 13 2 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 14 16 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > DB07696 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QKEQESWFLCEUCV-QMMMGPOBSA-N/SDF?record_type=3d > [H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O > InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1 > QKEQESWFLCEUCV-QMMMGPOBSA-N > C11H19NO5 > 245.2723 > 245.126322723 > 3 > 36 > -3.3089525718718447e-07 > 24.86974530697959 > 1 > 1 > 0 > 1 > methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoate > 0.35 > 0.7470937406666662 > -2.05 > 0 > 0 > 0 > 0 > 17.092600374907907 > 13.480415372755214 > -6.951113849789087 > 81.69999999999999 > 59.72590000000001 > 7 > 1 > 2.18e+00 g/l > tetrahydrofolic acid > 0 $$$$