51743376 -OEChem-04232414042D 72 73 0 1 0 0 0 0 0999 V2000 6.3301 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 2.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.0284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8023 3.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 3.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 3.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 4.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 4.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 15 2 0 0 0 0 3 20 1 0 0 0 0 3 32 1 0 0 0 0 7 4 1 6 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 8 1 6 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 33 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 10 18 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 25 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 24 1 0 0 0 0 17 28 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 26 2 0 0 0 0 19 49 1 0 0 0 0 20 29 2 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 2 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 27 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 1 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 32 2 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 M END > 51743376 > 1 > 600 > 3 > 1 > 11 > AAADcfB7MAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADazhmAYyBIPABECIAqlSkACCCAAkIAAIiAGODMgOZjKEtTuXOSjk1hGYqYeYmcKOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-2-ethyl-N-(2-furylmethyl)hexanamide > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(2-furanylmethyl)hexanamide > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-2-ethyl-N-(2-furfuryl)hexanamide > InChI=1S/C27H40N2O3/c1-8-10-12-21(9-2)26(31)29(18-22-13-11-16-32-22)24(25(30)28-27(5,6)7)23-15-14-19(3)17-20(23)4/h11,13-17,21,24H,8-10,12,18H2,1-7H3,(H,28,30)/t21-,24-/m1/s1 > QXNOCWMCCBAKFD-ZJSXRUAMSA-N > 5.9 > 440.30389314 > C27H40N2O3 > 440.6 > CCCCC(CC)C(=O)N(CC1=CC=CO1)C(C2=C(C=C(C=C2)C)C)C(=O)NC(C)(C)C > CCCC[C@@H](CC)C(=O)N(CC1=CC=CO1)[C@H](C2=C(C=C(C=C2)C)C)C(=O)NC(C)(C)C > 62.6 > 440.30389314 > 0 > 32 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 8 12 19 8 17 24 8 19 26 8 20 29 8 24 27 8 26 27 8 29 31 8 3 20 8 3 32 8 31 32 8 7 4 6 6 8 6 $$$$