44201905 -OEChem-04232402412D 66 68 0 1 0 0 0 0 0999 V2000 2.0000 4.0577 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 -3.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 -0.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6853 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -2.3256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -2.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0429 0.6312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4912 -1.8773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9089 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -1.4596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3708 -2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2226 -1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 3.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -3.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9539 -1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 -3.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -4.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 3.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -4.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8335 -2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 0.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 -0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -1.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -0.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 1.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -1.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9856 -2.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 -2.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 -1.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -2.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 1.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 3.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1194 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -1.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5423 -1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 2.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 4.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 -4.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -4.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4484 -2.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2451 -2.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2307 -2.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 14 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 23 2 0 0 0 0 6 35 1 0 0 0 0 6 66 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 51 1 0 0 0 0 8 23 1 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 17 1 0 0 0 0 10 37 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 20 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 21 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 1 0 0 0 14 44 1 0 0 0 0 15 23 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 54 1 0 0 0 0 27 32 2 0 0 0 0 27 55 1 0 0 0 0 28 33 2 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 60 1 0 0 0 0 30 35 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 31 61 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 44201905 > 1 > 716 > 6 > 3 > 7 > AAADceB7OQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQCAAADRThmA4wCILABgCIAiHSGAACAAAgAAAIiIEICIgKNjKAsRmHMAAk1gGYqAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)ethanamide > 2-[(2R,6R,8Z,11S)-11-(4-fluorobenzyl)-5,12-diketo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > InChI=1S/C27H31FN2O5/c28-23-12-10-19(11-13-23)16-22-9-5-4-8-21(17-25(32)29-14-15-31)26(33)30-18-24(35-27(22)34)20-6-2-1-3-7-20/h1-7,10-13,21-22,24,31H,8-9,14-18H2,(H,29,32)(H,30,33)/b5-4-/t21-,22+,24+/m1/s1 > NZJHTYXCVOCKIO-PXKYFOGASA-N > 2.7 > 482.22170026 > C27H31FN2O5 > 482.5 > C1C=CCC(C(=O)NCC(OC(=O)C1CC2=CC=C(C=C2)F)C3=CC=CC=C3)CC(=O)NCCO > C1/C=C\C[C@@H](C(=O)NC[C@H](OC(=O)[C@@H]1CC2=CC=C(C=C2)F)C3=CC=CC=C3)CC(=O)NCCO > 105 > 482.22170026 > 0 > 35 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 14 22 5 21 24 8 21 25 8 22 26 8 22 27 8 24 28 8 25 29 8 26 31 8 27 32 8 28 33 8 29 33 8 31 34 8 32 34 8 9 13 6 $$$$