51900003 -OEChem-03182423522D 58 60 0 1 0 0 0 0 0999 V2000 5.5443 -0.7369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 2.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7157 -4.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -4.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.0679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -2.5302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 4.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -2.5302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1279 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7157 -2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -2.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -3.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 -0.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 -0.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 3.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 4.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 -1.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 4.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 4.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 3.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5910 -3.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 -3.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -1.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5241 -1.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1683 -2.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1683 -4.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 26 2 0 0 0 0 7 29 1 0 0 0 0 7 32 1 0 0 0 0 8 28 2 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 25 10 1 1 0 0 0 10 28 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 6 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END > 51900003 > 1 > 718 > 8 > 2 > 10 > AAADceB7OABAAAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAEgB4AAAHgQQAAAADSzh2AYyjYLABEiMAqnS2AKDCIBlKBkIiJHOTMgOJjrktb+HGajm1hH46ceY3+KOgAAAAAAAAACAAAEAAAgAAAAAAAAAAA== > ethyl (6R)-2-[[2-[(2S)-2-(furan-2-carbonylamino)propanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate > (6R)-2-[[2-[(2S)-2-[[2-furanyl(oxo)methyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester > ethyl (6R)-2-[[2-[(2S)-2-(furan-2-carbonylamino)propanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > ethyl (6R)-2-[[2-[(2S)-2-(furan-2-carbonylamino)propanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > ethyl (6R)-2-[2-[(2S)-2-(furan-2-ylcarbonylamino)propanoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (6R)-2-[[2-[(2S)-2-(2-furoylamino)propanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester > InChI=1S/C22H26N2O7S/c1-4-29-22(28)18-14-8-7-12(2)10-16(14)32-20(18)24-17(25)11-31-21(27)13(3)23-19(26)15-6-5-9-30-15/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,23,26)(H,24,25)/t12-,13+/m1/s1 > BPEXWABSKUAHNC-OLZOCXBDSA-N > 4.3 > 462.14607235 > C22H26N2O7S > 462.5 > CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C(C)NC(=O)C3=CC=CO3 > CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)COC(=O)[C@H](C)NC(=O)C3=CC=CO3 > 152 > 462.14607235 > 0 > 32 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 19 8 25 10 5 11 17 6 15 16 8 15 18 8 18 19 8 29 30 8 30 31 8 31 32 8 7 29 8 7 32 8 $$$$