60193874 -OEChem-03192401522D 68 72 0 1 0 0 0 0 0999 V2000 9.2055 -0.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 -2.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 2.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3379 1.2287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -1.0263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3379 2.9607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7147 -2.0947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7147 -3.8268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0745 0.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4735 -0.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8157 -0.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2147 -1.2287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0413 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 -2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -1.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 3.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 4.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 3.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 5.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 4.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2147 -2.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2147 -2.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7092 -3.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 -4.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -4.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -5.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 1.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 -1.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -1.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 3.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 2.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0247 -1.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 4.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 5.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 3.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 3.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 -3.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -2.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 5.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 5.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 5.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 4.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -3.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -3.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7973 -2.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1070 -2.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3258 -3.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7092 -3.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 -4.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9435 -5.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1693 -5.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5067 -4.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5903 -5.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 -5.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 44 1 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 8 45 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 6 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 1 0 0 0 13 17 1 6 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > 60193874 > 1 > 846 > 5 > 3 > 6 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAeLEAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYBAAPAAgCIACVSUACAAAAgAgAICIEIAEiIUBoAwQAUQAAOlgKIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,9S,10S,11S)-N12-cyclopentyl-10-(hydroxymethyl)-6-oxo-N11-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > (1R,9S,10S,11S)-N12-cyclopentyl-10-(hydroxymethyl)-6-oxo-N11-[2-(1-pyrrolidinyl)ethyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > (1R,9S,10S,11S)-12-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-11-N-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > (1R,9S,10S,11S)-12-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-11-N-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > (1R,9S,10S,11S)-N12-cyclopentyl-10-(hydroxymethyl)-6-oxidanylidene-N11-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > (1R,9S,10S,11S)-N'-cyclopentyl-6-keto-10-methylol-N-(2-pyrrolidinoethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide > InChI=1S/C24H35N5O4/c30-15-17-19-14-28-18(8-5-9-20(28)31)22(29(19)24(33)26-16-6-1-2-7-16)21(17)23(32)25-10-13-27-11-3-4-12-27/h5,8-9,16-17,19,21-22,30H,1-4,6-7,10-15H2,(H,25,32)(H,26,33)/t17-,19-,21+,22+/m1/s1 > LNPUGDVIARYJMT-IVOMFYJKSA-N > -0.2 > 457.26890461 > C24H35N5O4 > 457.6 > C1CCC(C1)NC(=O)N2C3CN4C(=O)C=CC=C4C2C(C3CO)C(=O)NCCN5CCCC5 > C1CCC(C1)NC(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NCCN5CCCC5 > 105 > 457.26890461 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 6 11 16 5 12 36 5 13 17 6 15 19 8 19 24 8 20 25 8 24 25 8 6 15 8 6 20 8 $$$$