9574101 -OEChem-10051720443D 69 71 0 1 0 0 0 0 0999 V2000 -1.6017 0.8414 -1.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 3.3328 1.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -2.1780 2.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 -3.1892 0.4657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -2.9610 -2.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 1.7237 0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -1.5482 0.1598 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 3.5842 -0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 -1.4289 -0.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 -1.8064 -2.2213 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 -1.1261 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -0.6223 0.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2305 -2.5028 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8747 -0.1170 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3611 -3.0046 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 -0.6227 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 3.1194 0.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5017 -1.9951 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8212 1.7366 1.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 3.2661 1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 0.7093 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 3.3551 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.3700 1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -2.3603 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 3.8222 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 2.5470 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 2.0634 -1.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 1.8455 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -3.0491 2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 0.8783 -2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 0.6604 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9481 0.1768 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -2.7217 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 -1.0588 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 -1.2341 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -0.5706 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 -2.4506 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -3.2447 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 0.8438 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2729 0.0783 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2709 3.6572 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9703 -3.2001 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7412 -3.9574 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8348 0.0922 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 -0.6795 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 -1.9083 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -2.3561 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 1.3352 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 1.2885 2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 3.7632 2.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 3.7355 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -1.4469 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -0.3645 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.5645 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 3.5646 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 4.4938 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 4.3538 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 2.6009 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 2.2093 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -2.9057 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -4.0896 2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 0.5273 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 0.1272 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -3.3708 4.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -2.8410 4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 -1.6789 3.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1681 -2.2915 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 -0.8412 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 -3.3810 -3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 69 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 52 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 55 1 0 0 0 0 9 34 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 34 2 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 35 1 0 0 0 0 12 21 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > DB04898 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZXIBCJHYVWYIKI-PZJWPPBQSA-N/SDF?record_type=3d > CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1 > InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1 > ZXIBCJHYVWYIKI-PZJWPPBQSA-N > C24H35N5O5 > 473.5652 > 473.263819255 > 7 > 69 > 1.00901823050927 > 52.177018994113794 > 1 > 4 > 0 > 1 > ethyl 2-{[(1R)-1-cyclohexyl-2-[(2S)-2-[({4-[(Z)-N'-hydroxycarbamimidoyl]phenyl}methyl)carbamoyl]azetidin-1-yl]-2-oxoethyl]amino}acetate > 1.35 > 0.8693069373333331 > -3.75 > 1 > 0 > 3 > 0 > 14.281117076360497 > 8.69529367474856 > 5.4771409946397025 > 146.35000000000002 > 126.56619999999998 > 11 > 1 > 8.45e-02 g/l > biotin > 0 $$$$