51753525 -OEChem-04262411392D 67 69 0 1 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 3.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 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 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 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 5.4641 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 1.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 1.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 2.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 43 1 0 0 0 0 12 5 1 1 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 23 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 27 2 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 28 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 M END > 51753525 > 1 > 575 > 3 > 1 > 9 > AAADcfB7MAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBIPABECIAqlSkACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1hGYqYeYmcKOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-furylmethyl)pentanamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-furanylmethyl)pentanamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pentanamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pentanamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)pentanamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-N-(2-furfuryl)valeramide > InChI=1S/C26H36N2O3/c1-4-5-13-24(29)28(18-22-12-9-16-31-22)25(23-15-14-19(2)17-20(23)3)26(30)27-21-10-7-6-8-11-21/h9,12,14-17,21,25H,4-8,10-11,13,18H2,1-3H3,(H,27,30)/t25-/m0/s1 > MUYPYZKUDXJSIY-VWLOTQADSA-N > 5.3 > 424.27259301 > C26H36N2O3 > 424.6 > CCCCC(=O)N(CC1=CC=CO1)C(C2=C(C=C(C=C2)C)C)C(=O)NC3CCCCC3 > CCCCC(=O)N(CC1=CC=CO1)[C@@H](C2=C(C=C(C=C2)C)C)C(=O)NC3CCCCC3 > 62.6 > 424.27259301 > 0 > 31 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 17 8 14 18 8 17 22 8 18 23 8 21 27 8 22 24 8 23 24 8 27 30 8 3 21 8 3 31 8 30 31 8 12 5 5 $$$$