57324992 -OEChem-05042407462D 59 62 0 1 0 0 0 0 0999 V2000 8.0622 -0.4081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0919 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 0.0627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 0.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 -2.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -2.0379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0566 -1.4466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8292 -1.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9365 0.0877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9365 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6086 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 -1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6410 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4983 -3.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -0.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4804 -1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 0.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8997 -3.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 -4.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0968 -3.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3118 -0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 -1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 29 2 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 47 1 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 16 1 0 0 0 0 8 39 1 0 0 0 0 9 34 2 0 0 0 0 10 35 1 0 0 0 0 10 54 1 0 0 0 0 11 36 2 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 21 1 0 0 0 0 13 28 1 0 0 0 0 13 44 1 0 0 0 0 14 30 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 30 2 0 0 0 0 16 31 2 3 0 0 0 17 36 1 0 0 0 0 17 52 1 0 0 0 0 18 32 1 0 0 0 0 18 38 2 0 0 0 0 19 38 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 37 2 0 0 0 0 33 35 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 36 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 37 53 1 0 0 0 0 39 55 1 0 0 0 0 39 56 1 0 0 0 0 39 57 1 0 0 0 0 M END > 57324992 > 1 > 1220 > 15 > 5 > 10 > AAADceB7/ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcCAAADCjl1gajmRP6EgisAwfyfAAQ8KlhCjkTCJW4IFiCdJogzCEUEAAAngK4ESIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 7-[[2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-dioxo-1H-1,2,4-triazin-3-yl]-2-thioxo-ethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-dioxo-1H-1,2,4-triazin-3-yl]-2-sulfanylideneethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-dioxo-1H-1,2,4-triazin-3-yl]-2-sulfanylideneethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-dioxo-1H-1,2,4-triazin-3-yl]-2-sulfanylideneethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]-2-sulfanylidene-ethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 7-[[2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[2-[4-(2-hydroxyethyl)-5,6-diketo-1H-1,2,4-triazin-3-yl]-2-thioxo-ethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > InChI=1S/C20H20N8O8S3/c1-36-26-10(8-6-39-20(21)22-8)14(30)23-11-16(32)28-12(19(34)35)7(5-38-18(11)28)4-9(37)13-24-25-15(31)17(33)27(13)2-3-29/h6,11,18,29H,2-5H2,1H3,(H2,21,22)(H,23,30)(H,25,31)(H,34,35) > HSLFAVICAKOURY-UHFFFAOYSA-N > -2.3 > 596.05662315 > C20H20N8O8S3 > 596.6 > CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CC(=S)C4=NNC(=O)C(=O)N4CCO)C(=O)O > CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CC(=S)C4=NNC(=O)C(=O)N4CCO)C(=O)O > 315 > 596.05662315 > 0 > 39 > 0 > 2 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 20 1 3 21 13 3 14 30 8 14 34 8 15 17 8 15 30 8 16 31 1 17 36 8 18 32 8 18 38 8 3 37 8 3 38 8 32 37 8 34 36 8 $$$$