44201891 -OEChem-04242418162D 79 82 0 1 0 0 0 0 0999 V2000 2.0000 3.1383 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 0.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9824 0.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0244 1.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9065 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1895 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1999 0.2186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5555 0.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1980 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5105 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.2723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1895 -1.2327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6895 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4824 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2449 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8068 -2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9343 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4204 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 -2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8893 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 4.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0329 -3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4327 -3.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -4.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6237 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1098 -0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5787 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0648 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7992 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6243 -0.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6257 1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8065 1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2265 -0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0039 -0.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 2.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5339 -1.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 1.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9043 1.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 3.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 3.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1267 -1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7349 2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 3.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2183 1.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 1.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7557 -1.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9922 -0.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 -2.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 -1.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3507 -0.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -1.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 4.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 -4.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -3.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 4.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4870 1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6545 -0.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0340 1.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 -1.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4986 -2.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3913 -0.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 14 2 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 29 1 0 0 0 0 6 78 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 54 1 0 0 0 0 8 19 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 6 0 0 0 9 14 1 0 0 0 0 9 43 1 0 0 0 0 10 18 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 19 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 6 0 0 0 12 21 1 0 0 0 0 12 48 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 1 0 0 0 13 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 2 0 0 0 0 18 57 1 0 0 0 0 20 58 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 29 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 32 1 0 0 0 0 26 63 1 0 0 0 0 27 33 2 0 0 0 0 27 64 1 0 0 0 0 28 37 2 0 0 0 0 28 38 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 35 1 0 0 0 0 30 67 1 0 0 0 0 31 36 2 0 0 0 0 31 68 1 0 0 0 0 32 34 2 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 35 39 2 0 0 0 0 35 72 1 0 0 0 0 36 39 1 0 0 0 0 36 73 1 0 0 0 0 37 40 1 0 0 0 0 37 74 1 0 0 0 0 38 41 2 0 0 0 0 38 75 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 42 79 1 0 0 0 0 M END > 44201891 > 1 > 877 > 6 > 2 > 9 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADSjhmA4wCIPABgCIAiHSGACCAAAgAAAIiIEIBIgKMDKAkRGHIAhk1gGYiAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-benzyl-2-[(3S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(3S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide > N-benzyl-2-[(3S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > N-benzyl-2-[(3S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(3S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-bis(oxidanylidene)-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide > N-benzyl-2-[(3S,6R,8Z,11S)-11-(4-fluorobenzyl)-5,12-diketo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > InChI=1S/C34H37FN2O5/c35-30-17-15-25(16-18-30)21-29-14-8-7-13-28(22-32(39)37(19-20-38)23-26-9-3-1-4-10-26)33(40)36-31(24-42-34(29)41)27-11-5-2-6-12-27/h1-12,15-18,28-29,31,38H,13-14,19-24H2,(H,36,40)/b8-7-/t28-,29+,31-/m1/s1 > HAELHCQHHHCRMH-OJEINSPVSA-N > 4.3 > 572.26865045 > C34H37FN2O5 > 572.7 > C1C=CCC(C(=O)NC(COC(=O)C1CC2=CC=C(C=C2)F)C3=CC=CC=C3)CC(=O)N(CCO)CC4=CC=CC=C4 > C1/C=C\C[C@@H](C(=O)N[C@H](COC(=O)[C@@H]1CC2=CC=C(C=C2)F)C3=CC=CC=C3)CC(=O)N(CCO)CC4=CC=CC=C4 > 95.9 > 572.26865045 > 0 > 42 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 6 13 22 5 22 26 8 22 27 8 23 30 8 23 31 8 26 32 8 27 33 8 28 37 8 28 38 8 30 35 8 31 36 8 32 34 8 33 34 8 35 39 8 36 39 8 37 40 8 38 41 8 40 42 8 41 42 8 9 11 6 $$$$