4113895 -OEChem-05241302462D 73 75 0 1 0 0 0 0 0999 V2000 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 24 1 0 0 0 0 5 67 1 0 0 0 0 6 25 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 44 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 17 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 43 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 17 20 2 3 0 0 0 17 49 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 27 63 1 0 0 0 0 28 31 2 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 68 1 0 0 0 0 33 35 1 0 0 0 0 33 69 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 37 2 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 M END > 4113895 > 1 > 730 > 6 > 2 > 10 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADSjhmAYwCIPABgCIAiHSGACCAAAgAAAIiIEIDIgKNjKAsRmHMAhl1gGYqAedwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-benzyl-2-[3-(benzyloxymethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[5,12-dioxo-3-(phenylmethoxymethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide > N-benzyl-2-[5,12-dioxo-3-(phenylmethoxymethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide > 2-[5,12-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide > 2-[3-(benzoxymethyl)-5,12-diketo-1-oxa-4-azacyclododec-8-en-6-yl]-N-benzyl-N-(2-hydroxyethyl)acetamide > InChI=1S/C29H36N2O6/c32-17-16-31(19-23-10-4-1-5-11-23)27(33)18-25-14-8-3-9-15-28(34)37-22-26(30-29(25)35)21-36-20-24-12-6-2-7-13-24/h1-8,10-13,25-26,32H,9,14-22H2,(H,30,35) > VFTWUHWEAOLHRA-UHFFFAOYSA-N > 2.1 > 508.257337 > C29H36N2O6 > 508.60594 > C1CC(=O)OCC(NC(=O)C(CC=C1)CC(=O)N(CCO)CC2=CC=CC=C2)COCC3=CC=CC=C3 > C1CC(=O)OCC(NC(=O)C(CC=C1)CC(=O)N(CCO)CC2=CC=CC=C2)COCC3=CC=CC=C3 > 105 > 508.257337 > 0 > 37 > 0 > 2 > 0 > 1 > 0 > 1 > 6 > 1 5 255 > 12 43 3 17 20 1 23 27 8 23 28 8 27 30 8 28 31 8 29 33 8 29 34 8 30 32 8 31 32 8 33 35 8 34 36 8 35 37 8 36 37 8 9 38 3 $$$$