46937074 -OEChem-10051721023D 56 57 0 1 0 0 0 0 0999 V2000 3.4994 0.6806 1.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1688 -0.7991 2.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 1.7930 -1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 -0.6415 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 1.1241 0.7604 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5758 -1.3425 0.1859 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2239 -2.5285 1.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 1.3422 -0.2248 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2192 3.0832 -0.0421 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -0.6599 -0.1361 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 2.0240 -0.4435 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4466 -1.5492 0.6926 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5052 -0.7147 0.2930 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7258 -1.9914 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 2.5550 -0.0040 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7311 0.5007 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.2426 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 -0.7424 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 3.7744 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 2.4088 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -1.7139 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -3.0032 -1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 3.1310 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1992 -1.9462 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -3.2355 -2.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -2.7069 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 1.9669 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 1.1250 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5725 1.3345 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0847 0.0293 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3881 -0.6471 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6122 0.4486 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1244 -0.8567 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5753 -0.6625 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 -2.8611 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 -1.9571 1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 2.6727 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 1.0909 -1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 3.7026 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 4.6912 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 3.8727 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -1.1211 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 -3.4183 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 3.5665 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 4.0735 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 3.0918 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -1.5349 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -3.8272 -3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -0.7296 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -2.8873 -2.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 2.7960 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 2.1845 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 -0.1992 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 0.3168 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5835 0.6432 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9145 -1.7000 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 20 2 0 0 0 0 4 10 1 0 0 0 0 4 54 1 0 0 0 0 5 27 2 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 44 1 0 0 0 0 10 18 1 0 0 0 0 10 49 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 51 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 52 1 0 0 0 0 30 33 2 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 M CHG 2 6 -1 12 1 M END > DB07434 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZWQPWGUQCSKDW-GUYCJALGSA-N/SDF?record_type=3d > [H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)C(=O)NO)C(=O)NCC(=O)NC1=CC=C(C=C1)[N+]([O-])=O > InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1 > TZWQPWGUQCSKDW-GUYCJALGSA-N > C21H23N5O7 > 457.4366 > 457.159748115 > 7 > 56 > -0.016394800345554728 > 44.121535060086764 > 1 > 5 > 0 > 1 > (2S)-2-benzyl-N-hydroxy-N'-[(1S)-1-({[(4-nitrophenyl)carbamoyl]methyl}carbamoyl)ethyl]propanediamide > 1.07 > 0.7126011566666663 > -4.64 > 0 > 0 > 2 > 0 > 11.795846165234746 > 8.778680285824086 > -4.507558092371343 > 179.76999999999998 > 116.54379999999998 > 10 > 1 > 1.05e-02 g/l > biotin > 0 $$$$