44201738 -OEChem-04252406372D 82 85 0 1 0 0 0 0 0999 V2000 2.0000 -3.6313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5456 0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 0.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 -1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1121 -3.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7544 0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5176 -2.1592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 -1.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9434 -1.5484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0973 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5614 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 -1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9633 -3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 0.8012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6845 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8044 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2186 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8293 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5227 -2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -1.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1020 -2.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -2.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 2.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 -2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3438 -0.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -3.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 -3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5075 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6813 -3.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 3.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5025 -1.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6763 -3.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0869 -2.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 -0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3226 -2.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 -2.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -3.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 -3.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1802 -2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5065 -0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7163 -0.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4967 -1.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7699 -0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 -3.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3618 -3.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6538 0.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8175 0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2186 1.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -3.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8293 -1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3412 -0.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5436 -3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2704 -3.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4408 -1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3608 -0.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 -3.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2998 2.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8313 -0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9113 -0.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -4.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -1.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 3.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8806 3.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1452 -1.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4268 -4.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3158 4.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7571 -1.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0386 -4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3713 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -2.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 6 32 1 0 0 0 0 6 81 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 61 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 1 0 0 0 9 18 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 10 17 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 20 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 23 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 22 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 21 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 1 0 0 0 16 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 2 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 32 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 33 1 0 0 0 0 27 66 1 0 0 0 0 28 34 2 0 0 0 0 28 67 1 0 0 0 0 29 35 1 0 0 0 0 29 68 1 0 0 0 0 30 36 2 0 0 0 0 30 69 1 0 0 0 0 31 38 2 0 0 0 0 31 39 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 37 2 0 0 0 0 33 72 1 0 0 0 0 34 37 1 0 0 0 0 34 73 1 0 0 0 0 35 40 2 0 0 0 0 35 74 1 0 0 0 0 36 40 1 0 0 0 0 36 75 1 0 0 0 0 38 41 1 0 0 0 0 38 76 1 0 0 0 0 39 42 2 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 43 1 0 0 0 0 42 80 1 0 0 0 0 43 82 1 0 0 0 0 M END > 44201738 > 1 > 893 > 6 > 2 > 9 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADRThmA4wCIPABgCIAiHSGACCAAAgAAAIiIEIDIgKNjKAsRmHMAhk1gGYqAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-benzyl-2-[(2S,6R,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2S,6R,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide > N-benzyl-2-[(2S,6R,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > N-benzyl-2-[(2S,6R,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2S,6R,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide > N-benzyl-2-[(2S,6R,8E,12S)-12-(4-fluorobenzyl)-5,13-diketo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > InChI=1S/C35H39FN2O5/c36-31-18-16-26(17-19-31)22-30-15-9-3-8-14-29(23-33(40)38(20-21-39)25-27-10-4-1-5-11-27)34(41)37-24-32(43-35(30)42)28-12-6-2-7-13-28/h1-8,10-13,16-19,29-30,32,39H,9,14-15,20-25H2,(H,37,41)/b8-3+/t29-,30+,32-/m1/s1 > XLVFAOACBLRJTI-WXQJYRSTSA-N > 4.7 > 586.28430051 > C35H39FN2O5 > 586.7 > C1CC(C(=O)OC(CNC(=O)C(CC=C1)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F > C\1C[C@H](C(=O)O[C@H](CNC(=O)[C@H](C/C=C1)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F > 95.9 > 586.28430051 > 0 > 43 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 16 24 5 23 27 8 23 28 8 24 29 8 24 30 8 27 33 8 28 34 8 29 35 8 30 36 8 31 38 8 31 39 8 33 37 8 34 37 8 35 40 8 36 40 8 38 41 8 39 42 8 41 43 8 42 43 8 9 13 5 $$$$