51747598 -OEChem-03282408562D 71 73 0 1 0 0 0 0 0999 V2000 7.2437 1.3433 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 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 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 -0.2500 0.0000 C 0 0 2 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 5.4641 1.2500 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 6.3301 -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 0.2500 0.0000 C 0 0 0 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 8.0622 -0.2500 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 6.3301 1.7500 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 4.5981 -3.2500 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 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 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 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 2.7445 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 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 2.9524 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 7.9128 2.0864 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 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.7249 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 2.6540 1.1674 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 3.4766 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 3.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 3.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 2.0216 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 9.7942 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 31 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 7 5 1 6 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 21 2 0 0 0 0 14 41 1 0 0 0 0 15 23 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 25 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 30 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 32 1 0 0 0 0 27 60 1 0 0 0 0 28 33 2 0 0 0 0 28 61 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 66 1 0 0 0 0 32 34 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > 51747598 > 1 > 649 > 4 > 1 > 12 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADCzhmAYyBoPABECIAqlSkACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1hGYqYeY2eKO4AACAAAQAADAAAQAACAAAAAAAAAAAA== > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-furylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-furanylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-N-(2-furfuryl)-3-(4-methoxyphenyl)propionamide > InChI=1S/C29H36N2O4/c1-5-6-17-30-29(33)28(26-15-9-21(2)19-22(26)3)31(20-25-8-7-18-35-25)27(32)16-12-23-10-13-24(34-4)14-11-23/h7-11,13-15,18-19,28H,5-6,12,16-17,20H2,1-4H3,(H,30,33)/t28-/m1/s1 > UTBVLZYFENDZET-MUUNZHRXSA-N > 5.2 > 476.26750763 > C29H36N2O4 > 476.6 > CCCCNC(=O)C(C1=C(C=C(C=C1)C)C)N(CC2=CC=CO2)C(=O)CCC3=CC=C(C=C3)OC > CCCCNC(=O)[C@@H](C1=C(C=C(C=C1)C)C)N(CC2=CC=CO2)C(=O)CCC3=CC=C(C=C3)OC > 71.8 > 476.26750763 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 17 8 1 31 8 12 18 8 14 21 8 17 25 8 18 19 8 19 21 8 23 27 8 23 28 8 25 29 8 27 32 8 28 33 8 29 31 8 32 34 8 33 34 8 7 5 6 8 12 8 8 14 8 $$$$