70702457 -OEChem-03282414442D 52 53 0 1 0 0 0 0 0999 V2000 9.0084 -0.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.6887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -0.8840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3840 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7120 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 36 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 14 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M END > 70702457 > 1 > 497 > 6 > 2 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBgAAAHgQQCAAADHzh1gYDmRPIFgisAQVwfAAA8KlhCDkBGBQ4SAiCNgJgmAGMUAAulwLYWCOQUAMAAAAAAAAAAAAAAQAEQABiAAAAAAAAAA== > tert-butyl N-(2-acetamido-7-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propyl-carbamate > N-(2-acetamido-7-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propylcarbamic acid tert-butyl ester > tert-butyl N-(2-acetamido-7-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propylcarbamate > tert-butyl N-(2-acetamido-7-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propylcarbamate > tert-butyl N-(2-acetamido-7-oxidanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propyl-carbamate > N-(2-acetamido-7-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propyl-carbamic acid tert-butyl ester > InChI=1S/C17H27N3O4S/c1-6-9-20(16(23)24-17(3,4)5)12-8-7-11-14(13(12)22)25-15(19-11)18-10(2)21/h12-13,22H,6-9H2,1-5H3,(H,18,19,21) > BIYASEXRLWDARZ-UHFFFAOYSA-N > 1.9 > 369.17222752 > C17H27N3O4S > 369.5 > CCCN(C1CCC2=C(C1O)SC(=N2)NC(=O)C)C(=O)OC(C)(C)C > CCCN(C1CCC2=C(C1O)SC(=N2)NC(=O)C)C(=O)OC(C)(C)C > 120 > 369.17222752 > 0 > 25 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 18 8 13 14 8 11 2 3 9 6 3 7 14 8 7 18 8 $$$$