51744988 -OEChem-05082406532D 69 72 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 7.6334 2.6870 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 11.1354 -0.7230 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 2 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 5.4641 -1.0284 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 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 7.1962 -0.0284 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 6.6722 2.4113 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 8.1810 -0.2020 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 8.5230 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 0.5640 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 9.5078 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8086 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1506 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4774 -1.6627 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 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 6.8671 -1.2184 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 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 8.1244 -1.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 1.1466 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 9.7198 -1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2071 0.8653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8948 -1.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -2.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 -1.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 1 0 0 0 0 2 31 1 0 0 0 0 3 19 2 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 47 1 0 0 0 0 13 6 1 1 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 18 22 2 0 0 0 0 18 51 1 0 0 0 0 19 25 1 0 0 0 0 20 23 2 0 0 0 0 20 52 1 0 0 0 0 21 26 2 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 27 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 32 1 0 0 0 0 28 61 1 0 0 0 0 29 33 2 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 M END > 51744988 > 1 > 686 > 4 > 1 > 8 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAAAB0AAAHgAQAAAADCzhmAYyBoPABECIAqlSkACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1hGYqYeY3cLO4AACAAAQAADAAAQAACAAAAAAAAAAAA== > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-furylmethyl)-4-methoxy-benzamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-furanylmethyl)-4-methoxybenzamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-4-methoxy-benzamide > N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-keto-ethyl]-N-(2-furfuryl)-4-methoxy-benzamide > InChI=1S/C29H34N2O4/c1-20-11-16-26(21(2)18-20)27(28(32)30-23-8-5-4-6-9-23)31(19-25-10-7-17-35-25)29(33)22-12-14-24(34-3)15-13-22/h7,10-18,23,27H,4-6,8-9,19H2,1-3H3,(H,30,32)/t27-/m0/s1 > UWHJXMMKWLSQJX-MHZLTWQESA-N > 5.5 > 474.25185757 > C29H34N2O4 > 474.6 > CC1=CC(=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)OC)C > CC1=CC(=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)OC)C > 71.8 > 474.25185757 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 17 8 15 18 8 17 20 8 18 22 8 2 21 8 2 31 8 20 23 8 21 26 8 22 23 8 25 28 8 25 29 8 26 30 8 28 32 8 29 33 8 30 31 8 32 34 8 33 34 8 13 6 5 $$$$