3575561 -OEChem-05181311482D 74 76 0 1 0 0 0 0 0999 V2000 11.6308 -0.0249 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 3.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9852 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -2.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 2.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4188 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6752 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3590 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6878 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2294 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7256 -0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0413 -2.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 -3.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 -2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 0.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 31 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 13 2 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 25 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 32 1 0 0 0 0 27 65 1 0 0 0 0 28 33 2 0 0 0 0 28 66 1 0 0 0 0 29 31 2 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 32 34 2 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 M END > 3575561 > 1 > 611 > 4 > 0 > 14 > AAADcfB7MABAAAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAAABwAAAHgQAAAAADBTl2AayAYMABAiMAiFSEACDAIAgCBBIiBmIBIgKYDKgkTGXIAhkhgC4iAeYmIKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(tetrahydrofuran-2-ylmethyl)octanamide > N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-(2-oxolanylmethyl)octanamide > N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide > N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(oxolan-2-ylmethyl)octanamide > N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(tetrahydrofurfuryl)caprylamide > InChI=1S/C28H40N2O3S/c1-3-4-5-6-10-15-27(31)30(20-25-14-11-17-33-25)22-28(32)29(19-24-12-8-7-9-13-24)21-26-23(2)16-18-34-26/h7-9,12-13,16,18,25H,3-6,10-11,14-15,17,19-22H2,1-2H3 > NSQOABQJHHTGJQ-UHFFFAOYSA-N > 5.7 > 484.275964 > C28H40N2O3S > 484.6938 > CCCCCCCC(=O)N(CC1CCCO1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C > CCCCCCCC(=O)N(CC1CCCO1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C > 78.1 > 484.275964 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 1 23 8 1 31 8 23 26 8 24 27 8 24 28 8 26 29 8 27 32 8 28 33 8 29 31 8 32 34 8 33 34 8 7 35 3 $$$$