2830454 -OEChem-05112407582D 66 69 0 1 0 0 0 0 0999 V2000 5.4718 -2.7827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 -0.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9484 1.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9484 3.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 1.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 2.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.2172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.2794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8641 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 2.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8304 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 2.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8304 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 3.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8544 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8544 2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -3.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -1.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 -1.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 0.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -1.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 0.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 -1.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -1.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -0.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 -1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8578 -1.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 0.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -0.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7854 3.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 2.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 1.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9933 -0.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 3.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0635 1.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4653 1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4653 2.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0635 3.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 -2.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -3.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -3.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 37 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 5 26 1 0 0 0 0 5 35 1 0 0 0 0 6 28 1 0 0 0 0 6 36 1 0 0 0 0 7 18 2 0 0 0 0 8 19 2 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 33 2 0 0 0 0 21 27 2 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 29 1 0 0 0 0 25 29 2 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 53 1 0 0 0 0 28 34 1 0 0 0 0 29 54 1 0 0 0 0 30 34 2 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 2830454 > 1 > 871 > 9 > 1 > 10 > AAADceB6PABAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACRQAAAHgQQAAAADGzl2AayDoLABAiIAqDSGAACCAAkIBAIiIGOiMkPJzakNTqPO2Kl9hUaqYeI7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate > 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-yl] ester > [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate > [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate > [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate > 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-yl] ester > InChI=1S/C27H29NO8S/c1-27(2,3)36-26(31)28-20(9-12-37-4)25(30)35-17-6-7-18-22(14-17)34-15-19(24(18)29)16-5-8-21-23(13-16)33-11-10-32-21/h5-8,13-15,20H,9-12H2,1-4H3,(H,28,31) > GSNXHOGGVFKKQF-UHFFFAOYSA-N > 4.4 > 527.16138806 > C27H29NO8S > 527.6 > CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4 > CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4 > 135 > 527.16138806 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 3 20 24 8 20 33 8 21 27 8 21 30 8 22 23 8 22 24 8 22 31 8 23 29 8 25 29 8 25 32 8 26 27 8 26 28 8 28 34 8 30 34 8 31 32 8 4 23 8 4 33 8 $$$$