154699467 -OEChem-02132115363D 71 73 0 1 0 0 0 0 0999 V2000 6.4554 2.7941 2.0525 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3502 -4.4014 -1.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 1.2965 -1.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 1.0516 0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5801 2.2098 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -1.7066 -1.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 2.3223 1.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 1.4907 2.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 3.0969 3.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 3.9505 1.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0245 -5.2528 0.0994 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 -0.1907 -0.9719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 0.6029 -1.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 -1.5581 0.2862 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -2.9674 -0.3551 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7506 -1.7598 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 -3.2576 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.4581 -0.0887 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0671 -4.7494 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5331 -4.2610 -0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.6599 -1.6767 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1034 1.9713 -2.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9868 0.7209 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 0.5518 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 2.1963 -3.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 1.1209 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 1.1001 -4.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 3.5591 -4.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -0.5942 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 -0.4813 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 0.6587 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 0.2603 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4097 -1.1352 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4498 0.9548 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 -1.8736 1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5298 0.2294 2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -1.1630 1.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0469 3.0115 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -2.8651 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 -1.8955 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -1.6892 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -2.6794 1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -3.0359 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 -0.4832 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -5.2223 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -4.9802 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2898 -6.2301 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -0.4992 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -0.2035 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 2.0077 -2.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.8142 -1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 2.2107 -3.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 1.4791 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 0.2622 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 1.4045 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.9971 -5.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 1.3275 -5.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 0.1316 -4.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 3.6076 -4.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 3.7558 -4.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 4.3642 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 1.6792 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -2.5248 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 -2.9576 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3702 0.7534 2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3931 -1.7065 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 1.6073 3.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 3.5440 4.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9799 4.0857 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1022 2.7416 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5052 2.7887 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 20 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 26 1 0 0 0 0 6 29 2 0 0 0 0 7 34 1 0 0 0 0 7 38 1 0 0 0 0 8 67 1 0 0 0 0 9 68 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 47 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 12 48 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 53 1 0 0 0 0 14 30 1 0 0 0 0 14 33 1 0 0 0 0 14 63 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 M END > DB16514 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FQKALOFOWPDTED-WBAXXEDZSA-N/SDF?record_type=3d > [H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC)C(=O)COP(O)(O)=O)CCNC1=O > InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1 > FQKALOFOWPDTED-WBAXXEDZSA-N > C24H33N4O9P > 552.521 > 552.198515657 > 8 > 71 > -1.920550501488514 > 54.40624403960693 > 0 > 6 > 0 > 0 > [(3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butoxy]phosphonic acid > 0.19484032433333373 > 1 > -2 > 3 > -2 > 6.2370834099054315 > 1.2077710859326907 > -1.5537741804732432 > 196.14999999999995 > 135.4882 > 13 > 0 > disodium dexamethasone phosphate(2-) > 0 $$$$