51747593 -OEChem-04192423592D 71 73 0 1 0 0 0 0 0999 V2000 2.8660 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 1.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 3.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 3.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 3.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 19 1 0 0 0 0 2 31 1 0 0 0 0 3 12 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 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 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 23 2 0 0 0 0 18 51 1 0 0 0 0 19 26 2 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 32 1 0 0 0 0 29 64 1 0 0 0 0 30 33 2 0 0 0 0 30 65 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 > 51747593 > 1 > 683 > 4 > 1 > 10 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADKzhmAYyBoPABECIAqlSkACCCAAkIAAIiAGODMgOZjKEtTuXOSjk1hGYqYeY2eKO4AACAAAQAADAAAQAACAAAAAAAAAAAA== > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-furylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-furanylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide > N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-N-(2-furfuryl)-3-(4-methoxyphenyl)propionamide > InChI=1S/C29H36N2O4/c1-20-9-15-25(21(2)18-20)27(28(33)30-29(3,4)5)31(19-24-8-7-17-35-24)26(32)16-12-22-10-13-23(34-6)14-11-22/h7-11,13-15,17-18,27H,12,16,19H2,1-6H3,(H,30,33)/t27-/m1/s1 > NWQZDKBFVRHFGD-HHHXNRCGSA-N > 4.9 > 476.26750763 > C29H36N2O4 > 476.6 > CC1=CC(=C(C=C1)C(C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)CCC3=CC=C(C=C3)OC)C > CC1=CC(=C(C=C1)[C@H](C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)CCC3=CC=C(C=C3)OC)C > 71.8 > 476.26750763 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 21 8 18 23 8 19 26 8 2 19 8 2 31 8 21 22 8 22 23 8 25 29 8 25 30 8 26 28 8 28 31 8 29 32 8 30 33 8 32 34 8 33 34 8 7 5 6 9 13 8 9 18 8 $$$$