6537430 -OEChem-05082400172D 57 60 0 1 0 0 0 0 0999 V2000 8.9282 -0.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5055 -0.1631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 1.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 -0.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -2.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9226 -1.6725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6952 -1.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8025 -0.1381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8025 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5070 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7624 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6922 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 -0.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 -1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1704 0.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0937 -3.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5305 -4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2907 -3.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1778 -1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7909 -2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 47 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 14 1 0 0 0 0 8 38 1 0 0 0 0 9 36 2 0 0 0 0 10 37 2 0 0 0 0 11 39 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 21 13 1 1 0 0 0 13 27 1 0 0 0 0 13 44 1 0 0 0 0 14 29 2 0 0 0 0 15 31 1 0 0 0 0 15 34 2 0 0 0 0 16 33 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 33 2 0 0 0 0 18 37 1 0 0 0 0 18 51 1 0 0 0 0 19 34 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 6 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 30 46 1 0 0 0 0 31 32 2 0 0 0 0 32 48 1 0 0 0 0 35 39 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 36 37 1 0 0 0 0 38 52 1 0 0 0 0 38 53 1 0 0 0 0 38 54 1 0 0 0 0 39 57 1 0 0 0 0 M END > 6537430 > 1 > 1240 > 15 > 4 > 10 > AAADceB7/ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcCAAADCjl1gajmRP6EgisAy3y/AAQ8KlhCjkbCJW4IFiKZJggzCEUEAAAFgKwkSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]thio]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-[[5,6-bis(oxidanylidene)-4-(2-oxidanylideneethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[(E)-2-[[5,6-diketo-4-(2-ketoethyl)-1H-1,2,4-triazin-3-yl]thio]vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1 > WJXAHFZIHLTPFR-JLRJEBFFSA-N > -1.3 > 594.04097308 > C20H18N8O8S3 > 594.6 > CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CSC4=NNC(=O)C(=O)N4CC=O)C(=O)O > CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/SC4=NNC(=O)C(=O)N4CC=O)C(=O)O > 305 > 594.04097308 > 0 > 39 > 2 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 21 13 5 15 31 8 15 34 8 16 33 8 16 36 8 17 18 8 17 33 8 18 37 8 20 40 6 3 32 8 3 34 8 31 32 8 36 37 8 $$$$