44201718 -OEChem-03272401042D 79 82 0 1 0 0 0 0 0999 V2000 2.0000 4.5903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 -3.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 1.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 -4.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -1.7930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -1.7722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4912 -1.3447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0429 1.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6410 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9089 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -0.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7841 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2226 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9539 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 -2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8335 -1.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 3.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2782 -3.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 4.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -3.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6853 -1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8614 -2.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 3.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -3.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5649 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 -3.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5928 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 -1.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -0.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9856 -2.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 -2.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 0.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 0.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 1.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 2.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 -1.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 -0.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 0.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5423 -0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 -3.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7373 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 3.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 1.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 -2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -2.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 -3.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 4.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 2.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 -4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6681 -0.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3333 -3.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 -1.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7582 -3.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8514 -4.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1381 -2.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 31 1 0 0 0 0 6 78 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 58 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 9 16 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 6 0 0 0 10 21 1 0 0 0 0 10 44 1 0 0 0 0 11 18 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 20 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 19 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 22 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 1 0 0 0 15 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 2 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 31 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 36 2 0 0 0 0 26 37 1 0 0 0 0 27 32 1 0 0 0 0 27 63 1 0 0 0 0 28 33 2 0 0 0 0 28 64 1 0 0 0 0 29 34 1 0 0 0 0 29 65 1 0 0 0 0 30 35 2 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 38 2 0 0 0 0 32 69 1 0 0 0 0 33 38 1 0 0 0 0 33 70 1 0 0 0 0 34 39 2 0 0 0 0 34 71 1 0 0 0 0 35 39 1 0 0 0 0 35 72 1 0 0 0 0 36 40 1 0 0 0 0 36 73 1 0 0 0 0 37 41 2 0 0 0 0 37 74 1 0 0 0 0 39 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 > 44201718 > 1 > 877 > 6 > 2 > 9 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADRThmA4wCIPABgCIAiHSGACCAAAgAAAIiIEIDIgKNjKAsRmHMAhk1gGYqAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-benzyl-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)-N-(phenylmethyl)acetamide > N-benzyl-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 > N-benzyl-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)-N-(phenylmethyl)ethanamide > N-benzyl-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/C34H37FN2O5/c35-30-17-15-25(16-18-30)21-29-14-8-7-13-28(22-32(39)37(19-20-38)24-26-9-3-1-4-10-26)33(40)36-23-31(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 > PNELVWKIINCXOE-XCDPURTMSA-N > 4.3 > 572.26865045 > C34H37FN2O5 > 572.7 > C1C=CCC(C(=O)NCC(OC(=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)NC[C@H](OC(=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 > 10 14 6 15 23 5 22 27 8 22 28 8 23 29 8 23 30 8 26 36 8 26 37 8 27 32 8 28 33 8 29 34 8 30 35 8 32 38 8 33 38 8 34 39 8 35 39 8 36 40 8 37 41 8 40 42 8 41 42 8 9 12 6 $$$$