44480550 -OEChem-04242402262D 69 72 0 1 0 0 0 0 0999 V2000 4.5981 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 10 2 0 0 0 0 3 14 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 46 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 7 38 1 0 0 0 0 8 13 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 14 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 17 2 0 0 0 0 13 47 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 22 25 2 0 0 0 0 22 57 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 58 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > 44480550 > 1 > 761 > 4 > 2 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAQAAAADRThmAYwCILABACIAiHSGACCAAAgAAAIiIEIDIgKJjKAsRmHMAhk1gGYqAedwOAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2S,6S,8E)-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(4-phenylphenyl)methyl]ethanamide > 2-[(2S,6S,8E)-5,12-diketo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(4-phenylbenzyl)acetamide > InChI=1S/C31H32N2O4/c34-29(32-21-23-16-18-25(19-17-23)24-10-4-1-5-11-24)20-27-14-8-3-9-15-30(35)37-28(22-33-31(27)36)26-12-6-2-7-13-26/h1-8,10-13,16-19,27-28H,9,14-15,20-22H2,(H,32,34)(H,33,36)/b8-3+/t27-,28+/m0/s1 > ZBYMOKJLCBQHPG-JKOVRTOBSA-N > 4.4 > 496.23620751 > C31H32N2O4 > 496.6 > C1CC(=O)OC(CNC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4 > C\1CC(=O)O[C@H](CNC(=O)[C@@H](C/C=C1)CC(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4 > 84.5 > 496.23620751 > 0 > 37 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 15 21 8 15 22 8 21 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 28 8 26 30 8 27 31 8 29 30 8 29 31 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 7 9 6 $$$$