9913881 -OEChem-10061700063D 75 75 0 1 0 0 0 0 0999 V2000 1.4492 -4.4248 -1.7160 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 1.2897 -1.2859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 -1.1836 2.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 -0.0013 1.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2104 1.8595 0.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -1.7367 -1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5697 0.6819 0.8942 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 -0.1741 0.4171 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8205 0.5973 -0.1927 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -2.3920 0.1602 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 3.3576 1.5148 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 1.5465 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 2.8209 -1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 2.0242 0.0296 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 0.8980 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 -1.7390 0.0558 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3841 -1.0140 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6601 -0.3280 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 -2.4435 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 2.9883 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 1.4582 -1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -2.1779 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 4.3355 -0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 2.5895 -2.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 2.3232 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -3.9205 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -0.3051 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -3.0828 -0.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1900 2.3908 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8630 0.8656 1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -2.3360 -0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -4.0182 -0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 -4.5841 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 3.8352 2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 2.2242 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 -1.7105 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -1.4002 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -0.3933 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 -1.8848 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -2.3968 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 3.4655 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 3.5884 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 3.0366 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 2.0148 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 0.4192 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 1.8667 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 -2.7611 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6444 -1.7702 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 0.2388 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 4.7643 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 4.8702 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 4.5438 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 2.9557 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.5319 -2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 3.1256 -3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 2.4273 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5443 2.8993 -2.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 1.2708 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 -4.4810 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 -3.5483 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 -2.8449 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 1.8560 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 0.1076 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6494 0.7738 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8814 -3.3847 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 -3.7279 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2818 -5.0493 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3102 -4.5404 2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -5.6378 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5898 -4.0854 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 3.7755 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -5.0902 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 3.0067 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 4.2952 3.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8423 4.5779 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 72 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 27 2 0 0 0 0 5 29 2 0 0 0 0 6 31 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 30 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 49 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 10 61 1 0 0 0 0 11 29 1 0 0 0 0 11 34 1 0 0 0 0 11 71 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 29 1 0 0 0 0 14 35 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 16 36 1 0 0 0 0 17 22 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 26 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 28 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 26 59 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 M END > DB06573 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GTXSRFUZSLTDFX-HRCADAONSA-N/SDF?record_type=3d > CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C > InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1 > GTXSRFUZSLTDFX-HRCADAONSA-N > C23H41N5O5S > 499.67 > 499.282840614 > 5 > 75 > 54.519134275516336 > 1 > 4 > 0 > 0 > (2S)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-methyl-2-[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamido]pentanamide > 2.75 > 0.9655742673333345 > -4.91 > 0 > 1 > 0 > 12.329263381504923 > 9.307313998388631 > -2.5687569447780207 > 127.92000000000002 > 131.54229999999998 > 11 > 1 > 6.18e-03 g/l > rebimastat > 0 $$$$