59763175 -OEChem-04262422582D 57 60 0 1 0 0 0 0 0999 V2000 8.0622 -0.5981 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.9019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 -0.1273 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 0.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 -2.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -0.8108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -2.2279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0566 -1.6366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8292 -1.4540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9365 -0.1023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9365 0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6086 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6410 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4983 -3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -0.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4804 -1.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 2.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 0.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8997 -3.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 -4.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0968 -4.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3118 -1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 -2.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 1 25 2 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 19 2 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 35 1 0 0 0 0 7 32 2 0 0 0 0 8 33 2 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 31 1 0 0 0 0 12 27 2 0 0 0 0 13 28 2 0 0 0 0 13 32 1 0 0 0 0 14 29 1 0 0 0 0 14 34 2 0 0 0 0 15 33 1 0 0 0 0 15 49 1 0 0 0 0 16 34 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 48 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END > 59763175 > 1 > 1090 > 11 > 3 > 7 > AAADceB7+ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcAAAADCjF1gajkRP6EAisAwVydAAA8KlhCjkTKJW4IBiAYJggxCEUAAAAFgKgACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-N-[2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-5-methylene-8-oxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-N-[2-methyl-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-5-methylene-8-oxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-5-methylidene-8-oxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-5-methylidene-8-oxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-N-[2-methyl-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-5-methylidene-8-oxidanylidene-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ethanamide > (2E)-2-(2-aminothiazol-4-yl)-N-[3-[[(5,6-diketo-2-methyl-1H-1,2,4-triazin-3-yl)thio]methyl]-8-keto-2-methyl-5-methylene-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methyloximino-acetamide > InChI=1S/C19H22N8O5S3/c1-8-9(5-34-19-23-14(29)15(30)24-26(19)2)7-35(4)17-12(16(31)27(8)17)22-13(28)11(25-32-3)10-6-33-18(20)21-10/h6,12,17H,4-5,7H2,1-3H3,(H2,20,21)(H,22,28)(H,24,30)/b25-11+ > KJQCGEQMFOVVFZ-OPEKNORGSA-N > 1.3 > 538.08752935 > C19H22N8O5S3 > 538.6 > CC1=C(CS(=C)C2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)CSC4=NC(=O)C(=O)NN4C > CC1=C(CS(=C)C2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)CSC4=NC(=O)C(=O)NN4C > 244 > 538.08752935 > 0 > 35 > 0 > 3 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 3 18 10 3 11 15 8 11 28 8 13 28 8 13 32 8 14 29 8 14 34 8 15 33 8 29 30 8 3 30 8 3 34 8 32 33 8 17 9 3 $$$$