51743381 -OEChem-04202400022D 76 78 0 1 0 0 0 0 0999 V2000 3.7320 -0.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6334 2.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 3.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 3.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 4.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1823 4.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 25 1 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 46 1 0 0 0 0 12 5 1 6 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 6 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 25 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 27 2 0 0 0 0 22 57 1 0 0 0 0 23 30 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 31 2 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 29 65 1 0 0 0 0 29 66 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 33 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 2 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 M END > 51743381 > 1 > 633 > 3 > 1 > 11 > AAADcfB7MAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAABwAAAHgAQAAAADSzhmAYyBIPABECIAqlSkACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1hGYqYeYmcKOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-2-ethyl-N-(2-furylmethyl)hexanamide > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(2-furanylmethyl)hexanamide > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide > (2R)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-2-ethyl-N-(2-furfuryl)hexanamide > InChI=1S/C29H42N2O3/c1-5-7-12-23(6-2)29(33)31(20-25-15-11-18-34-25)27(26-17-16-21(3)19-22(26)4)28(32)30-24-13-9-8-10-14-24/h11,15-19,23-24,27H,5-10,12-14,20H2,1-4H3,(H,30,32)/t23-,27-/m1/s1 > HSBPNVZMIYWONQ-YIXXDRMTSA-N > 6.7 > 466.31954321 > C29H42N2O3 > 466.7 > CCCCC(CC)C(=O)N(CC1=CC=CO1)C(C2=C(C=C(C=C2)C)C)C(=O)NC3CCCCC3 > CCCC[C@@H](CC)C(=O)N(CC1=CC=CO1)[C@H](C2=C(C=C(C=C2)C)C)C(=O)NC3CCCCC3 > 62.6 > 466.31954321 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 17 6 16 21 8 16 22 8 21 26 8 22 27 8 25 31 8 26 28 8 27 28 8 3 25 8 3 34 8 31 33 8 33 34 8 12 5 6 $$$$