53206957 -OEChem-05112410282D 74 78 0 1 0 0 0 0 0999 V2000 13.3335 -1.7525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8996 -2.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7674 -2.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2674 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2773 0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8335 0.4382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 -1.1832 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7604 -1.1028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2100 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4325 -1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2345 -1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4570 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3996 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8335 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2195 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6800 -2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4505 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9630 2.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9870 -2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4475 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4961 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9847 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2165 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9602 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5291 3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5235 2.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 3.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0896 3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -3.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5207 2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -3.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -3.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9558 1.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0886 0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8249 -2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2294 -2.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7853 -2.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 -1.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8421 -2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5785 0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -2.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0910 -0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 -0.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 -1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -1.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 -1.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4376 -2.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8083 -0.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2292 1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9108 3.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5021 -0.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7615 0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2921 -0.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8234 4.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4389 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -3.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4744 2.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1390 2.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5670 3.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -4.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -2.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 -4.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 14 2 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 8 57 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 14 1 0 0 0 0 12 22 2 0 0 0 0 13 19 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 46 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 27 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 28 1 0 0 0 0 22 50 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 26 32 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 33 2 0 0 0 0 29 60 1 0 0 0 0 30 34 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 34 35 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 39 1 0 0 0 0 36 67 1 0 0 0 0 37 40 2 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 M END > 53206957 > 1 > 991 > 5 > 1 > 9 > AAADcfB/OABAAAAAAAAAAAAAAAAAAAAAAAAwYMGABYAAAAABVAAAHgQQAAAADAjB2AQywYPAAAqIAiVSUHDCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciMCOEAACQAAEAQAgAASAAAgCAAAAAAAAAA== > N-[2-[methyl(2-phenylethyl)amino]ethyl]-5-(m-tolylmethyl)-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[methyl(2-phenylethyl)amino]ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[2-[methyl(2-phenylethyl)amino]ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[methyl(2-phenylethyl)amino]ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[methyl(2-phenylethyl)amino]ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > 6,11,11-triketo-5-(3-methylbenzyl)-N-[2-[methyl(phenethyl)amino]ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C33H33N3O4S/c1-24-9-8-12-26(21-24)23-36-29-22-27(32(37)34-18-20-35(2)19-17-25-10-4-3-5-11-25)15-16-31(29)41(39,40)30-14-7-6-13-28(30)33(36)38/h3-16,21-22H,17-20,23H2,1-2H3,(H,34,37) > PRXRVBLOIWCEMO-UHFFFAOYSA-N > 4.9 > 567.21917772 > C33H33N3O4S > 567.7 > CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCN(C)CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C2=O > CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCN(C)CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C2=O > 95.2 > 567.21917772 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 8 11 12 8 11 20 8 12 22 8 15 17 8 16 18 8 17 18 8 19 29 8 19 30 8 20 27 8 22 28 8 27 28 8 29 33 8 30 34 8 32 36 8 32 37 8 33 35 8 34 35 8 36 39 8 37 40 8 39 41 8 40 41 8 9 10 8 9 15 8 $$$$