51843002 -OEChem-04192412272D 64 66 0 1 0 0 0 0 0999 V2000 10.2694 -1.2036 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3149 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8023 3.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9577 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 4.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 -1.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9425 -0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 1.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2560 1.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 3.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2584 -2.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 0.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1829 4.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 5.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 4.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8538 -2.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3411 0.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 10 2 0 0 0 0 4 13 2 0 0 0 0 7 5 1 6 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 15 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 19 2 0 0 0 0 12 37 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 23 2 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 M END > 51843002 > 1 > 637 > 4 > 1 > 9 > AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADCzBmAwyBIPABECIAqFSEACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1hGYqYeYmcKOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-4-fluoro-N-[(5-methyl-2-furyl)methyl]benzamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-4-fluoro-N-[(5-methyl-2-furanyl)methyl]benzamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-4-fluoranyl-N-[(5-methylfuran-2-yl)methyl]benzamide > N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-4-fluoro-N-[(5-methyl-2-furyl)methyl]benzamide > InChI=1S/C27H31FN2O3/c1-5-6-15-29-26(31)25(24-14-7-18(2)16-19(24)3)30(17-23-13-8-20(4)33-23)27(32)21-9-11-22(28)12-10-21/h7-14,16,25H,5-6,15,17H2,1-4H3,(H,29,31)/t25-/m1/s1 > CWONPTFBVHLVSN-RUZDIDTESA-N > 5.5 > 450.23187102 > C27H31FN2O3 > 450.5 > CCCCNC(=O)C(C1=C(C=C(C=C1)C)C)N(CC2=CC=C(O2)C)C(=O)C3=CC=C(C=C3)F > CCCCNC(=O)[C@@H](C1=C(C=C(C=C1)C)C)N(CC2=CC=C(O2)C)C(=O)C3=CC=C(C=C3)F > 62.6 > 450.23187102 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 8 12 19 8 15 23 8 16 18 8 18 19 8 2 15 8 2 25 8 21 27 8 21 28 8 23 26 8 25 26 8 27 31 8 28 32 8 31 33 8 32 33 8 7 5 6 8 11 8 8 12 8 $$$$