71450949 -OEChem-04262404252D 78 83 0 1 0 0 0 0 0999 V2000 5.6151 5.3131 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -3.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.9653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 4.5041 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3934 -0.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -1.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -4.5645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 2.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 2.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 3.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 3.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 4.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 5.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 5.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -1.5347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6097 5.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -3.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 -3.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -4.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -5.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 -4.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 -5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 3.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 2.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 2.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 3.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6464 3.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 3.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 1.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 0.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 1.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 2.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 5.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 3.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 5.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 -0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5449 4.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 5.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6745 5.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 -1.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -2.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 -3.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 -2.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 -2.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -5.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 -0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 0.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5054 -0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 -2.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -5.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 -4.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 -5.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 -0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -2.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1265 -1.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1265 -0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 25 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 19 1 0 0 0 0 22 6 1 1 0 0 0 6 56 1 0 0 0 0 7 25 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 32 2 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 35 1 0 0 0 0 32 70 1 0 0 0 0 33 36 1 0 0 0 0 33 71 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 38 40 2 0 0 0 0 38 75 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 M END > 71450949 > 1 > 904 > 4 > 2 > 7 > AAADcfB/sABAAAAAAAAAAAAAAAAAAWLAAAA8YMEAAAAAAFgB9AAAHgQQQAAADijBngS/wPPJkACoAzV3VACCgCAxAiAI2aG4ZJiIYPLAkbGUIAholgLIyAcYicCPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > N-[(1R)-2-[benzyl(methyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-methylsulfanyl-spiro[indoline-3,4'-piperidine]-1'-carboxamide > N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-1-(methylthio)-1'-spiro[2H-indole-3,4'-piperidine]carboxamide > N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide > N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide > N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-1-methylsulfanyl-spiro[2H-indole-3,4'-piperidine]-1'-carboxamide > N-[(1R)-2-[benzyl(methyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(methylthio)spiro[indoline-3,4'-piperidine]-1'-carboxamide > InChI=1S/C33H37N5O2S/c1-36(22-24-10-4-3-5-11-24)31(39)29(20-25-21-34-28-14-8-6-12-26(25)28)35-32(40)37-18-16-33(17-19-37)23-38(41-2)30-15-9-7-13-27(30)33/h3-15,21,29,34H,16-20,22-23H2,1-2H3,(H,35,40)/t29-/m1/s1 > ZVBLMUFWEBYUFD-GDLZYMKVSA-N > 5.3 > 567.26679661 > C33H37N5O2S > 567.7 > CN(CC1=CC=CC=C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)CN(C6=CC=CC=C56)SC > CN(CC1=CC=CC=C1)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)CN(C6=CC=CC=C56)SC > 97 > 567.26679661 > 0 > 41 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 17 8 16 18 8 17 20 8 18 21 8 20 21 8 26 27 8 26 28 8 27 29 8 27 32 8 29 33 8 32 35 8 33 36 8 34 37 8 34 38 8 35 36 8 37 39 8 38 40 8 39 41 8 40 41 8 22 6 5 8 28 8 8 29 8 $$$$