56947267 -OEChem-04262422462D 74 79 0 1 0 0 0 0 0999 V2000 6.2594 -2.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -1.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -3.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.4946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -0.0442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -3.0442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -5.0442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3934 -0.5442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6613 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -1.5442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6613 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6151 2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 2.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -3.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 4.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 5.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -4.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4556 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -4.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4556 0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 0.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -0.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -1.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -2.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -2.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -2.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 0.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 1.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 2.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.9487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 0.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 0.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 -1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2560 -1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 2.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 3.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 4.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7539 5.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 5.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 -4.8543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 -1.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1866 1.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3944 -3.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9925 -0.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 2.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3944 -4.8543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9925 1.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 26 1 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 26 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 10 6 1 1 0 0 0 6 21 1 0 0 0 0 6 51 1 0 0 0 0 7 30 2 0 0 0 0 7 38 1 0 0 0 0 8 35 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 1 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 19 24 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 29 33 2 0 0 0 0 29 63 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 39 1 0 0 0 0 36 68 1 0 0 0 0 37 40 2 0 0 0 0 37 69 1 0 0 0 0 38 41 2 0 0 0 0 38 70 1 0 0 0 0 39 42 2 0 0 0 0 39 71 1 0 0 0 0 40 42 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 M END > 56947267 > 1 > 948 > 6 > 1 > 9 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8YMGCAAAAAFgB1AAAHgAQAAAADjzhngY8yJPIFACoAzX3XASCgCQ3EiAI2IG4fMgKZHrA9bmXIIhmlgDY6Me+2POPgAAAAAACAAAAAAIAAAQgAAAAAAAAAA== > [(1S,2R,3S)-1'-benzyl-2'-oxo-2-(3-phenylpropanoylamino)spiro[cyclohexane-3,3'-indoline]-1-yl] pyrazine-2-carboxylate > 2-pyrazinecarboxylic acid [(1S,2R,3S)-2'-oxo-2-[(1-oxo-3-phenylpropyl)amino]-1'-(phenylmethyl)-1-spiro[cyclohexane-3,3'-indole]yl] ester > [(1S,2R,3S)-1'-benzyl-2'-oxo-2-(3-phenylpropanoylamino)spiro[cyclohexane-3,3'-indole]-1-yl] pyrazine-2-carboxylate > [(1S,2R,3S)-1'-benzyl-2'-oxo-2-(3-phenylpropanoylamino)spiro[cyclohexane-3,3'-indole]-1-yl] pyrazine-2-carboxylate > [(1S,2R,3S)-2'-oxidanylidene-1'-(phenylmethyl)-2-(3-phenylpropanoylamino)spiro[cyclohexane-3,3'-indole]-1-yl] pyrazine-2-carboxylate > pyrazinic acid [(1S,2R,3S)-1'-benzyl-2-(hydrocinnamoylamino)-2'-keto-spiro[cyclohexane-3,3'-indoline]-1-yl] ester > InChI=1S/C34H32N4O4/c39-30(18-17-24-10-3-1-4-11-24)37-31-29(42-32(40)27-22-35-20-21-36-27)16-9-19-34(31)26-14-7-8-15-28(26)38(33(34)41)23-25-12-5-2-6-13-25/h1-8,10-15,20-22,29,31H,9,16-19,23H2,(H,37,39)/t29-,31-,34-/m0/s1 > XMGCXWDUNATYFQ-ZYPSJOPPSA-N > 4.2 > 560.24235551 > C34H32N4O4 > 560.6 > C1CC(C(C2(C1)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)NC(=O)CCC5=CC=CC=C5)OC(=O)C6=NC=CN=C6 > C1C[C@@H]([C@@H]([C@]2(C1)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)NC(=O)CCC5=CC=CC=C5)OC(=O)C6=NC=CN=C6 > 102 > 560.24235551 > 0 > 42 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 14 17 8 14 18 8 17 20 8 18 22 8 20 23 8 22 23 8 24 28 8 24 29 8 28 32 8 29 33 8 30 35 8 31 36 8 31 37 8 32 34 8 33 34 8 36 39 8 37 40 8 38 41 8 39 42 8 40 42 8 10 6 5 7 30 8 7 38 8 8 35 8 8 41 8 9 11 5 $$$$