11765031 -OEChem-04242418422D 72 76 0 1 0 0 0 0 0999 V2000 10.3312 0.9995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9111 3.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1384 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.4995 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 4.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9945 -1.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9366 -3.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8496 -2.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.4995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9111 0.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4995 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.3224 -0.6303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -2.6607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8486 -3.9202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.4995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2055 1.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2055 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8776 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5832 0.3351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5497 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2553 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8105 1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0281 -1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2218 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7769 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7673 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4826 1.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3950 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8832 -3.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3937 -3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 0.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9664 0.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 0.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0207 -0.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7232 -0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0936 -0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6593 -0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9386 2.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0818 1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0696 -4.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4006 -4.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5559 -3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 39 1 0 0 0 0 3 21 2 0 0 0 0 4 26 2 0 0 0 0 5 27 1 0 0 0 0 6 27 2 0 0 0 0 7 38 2 0 0 0 0 8 71 1 0 0 0 0 11 46 1 0 0 0 0 11 72 1 0 0 0 0 12 46 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 20 14 1 1 0 0 0 14 26 1 0 0 0 0 14 51 1 0 0 0 0 15 25 1 0 0 0 0 15 30 2 0 0 0 0 15 31 1 0 0 0 0 28 16 1 1 0 0 0 16 38 1 0 0 0 0 16 57 1 0 0 0 0 17 42 1 0 0 0 0 17 45 2 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 69 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 6 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 36 2 0 0 0 0 29 37 1 0 0 0 0 30 33 1 0 0 0 0 30 55 1 0 0 0 0 31 34 2 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 39 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 40 1 0 0 0 0 36 62 1 0 0 0 0 37 41 2 0 0 0 0 37 63 1 0 0 0 0 38 42 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 43 2 0 0 0 0 40 66 1 0 0 0 0 41 43 1 0 0 0 0 41 67 1 0 0 0 0 42 44 2 0 0 0 0 43 68 1 0 0 0 0 44 46 1 0 0 0 0 45 70 1 0 0 0 0 M CHG 2 5 -1 15 1 M END > 11765031 > 1 > 1350 > 12 > 5 > 11 > AAADceB7vABgAAAAAAAAAAAAAABYAWAAAAA8QIAAAAAQAAAB8AAAHgQQCAAADCjF3gS9mJfNkoqoAzX3fHTCgC33ErAJ2aG4fNiKbnrg3bGUcYhulgL42Wc/iICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenyl-acetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (6R,7R)-7-[[(2R)-2-[[(5-carboxy-1H-imidazol-4-yl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)-1-pyridin-1-iumyl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazol-4-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenyl-acetyl]amino]-8-keto-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1 > LNZMRLHZGOBKAN-KAWPREARSA-N > 0.5 > 670.11518339 > C28H26N6O10S2 > 670.7 > C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=C(NC=N4)C(=O)O)C(=O)[O-])C[N+]5=CC=C(C=C5)CCS(=O)(=O)O > C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=C(NC=N4)C(=O)O)C(=O)[O-])C[N+]5=CC=C(C=C5)CCS(=O)(=O)O > 277 > 670.11518339 > 0 > 46 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 14 5 15 30 8 15 31 8 28 16 5 17 42 8 17 45 8 18 44 8 18 45 8 19 47 6 29 36 8 29 37 8 30 33 8 31 34 8 32 33 8 32 34 8 36 40 8 37 41 8 40 43 8 41 43 8 42 44 8 $$$$