107706 -OEChem-10051722543D 52 53 0 0 0 0 0 0 0999 V2000 2.9856 1.8276 1.3190 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 1.8830 0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -0.2558 -0.6892 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 1.8351 2.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 2.8745 0.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 -2.4648 1.0463 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5489 -4.2365 -0.2268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -4.5843 1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.2838 0.7285 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -1.7890 0.3285 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 0.8126 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 2.0072 -1.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3075 -0.4895 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5311 1.0244 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 0.7127 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2704 1.8441 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 1.8705 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 -0.0748 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 2.3330 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 1.3685 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 2.3461 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 1.3816 1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -1.0991 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.6179 -1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -1.4304 -2.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -1.8405 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 0.2866 -2.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 -0.7375 -3.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 -2.4511 1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 -3.8559 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1623 2.0723 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 2.9574 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 1.9173 -2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -0.4517 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 -1.3528 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 -0.6763 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2454 1.9705 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6184 1.0383 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2892 0.2230 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -0.4865 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 2.7118 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 0.9744 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 2.7284 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 1.0070 2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 1.4059 -1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -2.2288 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 0.8231 -3.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.9966 -4.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 -1.2574 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 -2.4879 2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -1.8635 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 -5.1536 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 6 26 2 0 0 0 0 7 30 1 0 0 0 0 7 52 1 0 0 0 0 8 30 2 0 0 0 0 9 18 1 0 0 0 0 9 40 1 0 0 0 0 10 26 1 0 0 0 0 10 29 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > DB12863 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BTGNGJJLZOIYID-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC(O)=O > InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24) > BTGNGJJLZOIYID-UHFFFAOYSA-N > C20H22N2O7S > 434.46 > 434.11477223 > 6 > 52 > 42.97189880261563 > 1 > 3 > 0 > 1 > 2-[(2-{4-[(2,2-dimethylpropanoyl)oxy]benzenesulfonamido}phenyl)formamido]acetic acid > 2.68 > 2.4200081700000005 > -4.46 > 0 > 2 > -2 > 4.977441545484984 > 2.76602886802078 > -1.5673073738569498 > 138.86999999999998 > 107.7847 > 8 > 1 > 1.52e-02 g/l > sivelestat > 0 $$$$