23585940 -OEChem-04252422372D 79 80 0 1 0 0 0 0 0999 V2000 8.5991 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 3.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 4.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 4.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 3.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 -0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0350 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 73 1 0 0 0 0 4 26 2 0 0 0 0 5 37 1 0 0 0 0 5 78 1 0 0 0 0 6 38 1 0 0 0 0 6 79 1 0 0 0 0 10 7 1 6 0 0 0 7 16 1 0 0 0 0 7 43 1 0 0 0 0 8 13 1 0 0 0 0 15 8 1 1 0 0 0 8 46 1 0 0 0 0 14 9 1 1 0 0 0 9 26 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 42 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 45 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 62 1 0 0 0 0 27 33 1 0 0 0 0 27 69 1 0 0 0 0 28 34 2 0 0 0 0 28 70 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 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 35 1 0 0 0 0 31 71 1 0 0 0 0 32 36 2 0 0 0 0 32 72 1 0 0 0 0 33 37 2 0 0 0 0 33 74 1 0 0 0 0 34 37 1 0 0 0 0 34 75 1 0 0 0 0 35 38 2 0 0 0 0 35 76 1 0 0 0 0 36 38 1 0 0 0 0 36 77 1 0 0 0 0 M END > 23585940 > 1 > 730 > 6 > 6 > 14 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADSzhmAYyBoLAAgCIAiFSEAACAAAgIAAIiIGOCIgKdjKCkTOUcAAk1hGYmAeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2S)-N-[(1S)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-4-methyl-pentanamide > (2S)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]-4-methylpentanamide > (2S)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-4-methylpentanamide > (2S)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-4-methylpentanamide > (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]-4-methyl-pentanamide > (2S)-N-[(1S)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(isovalerylamino)propanoyl]amino]-4-methyl-valeramide > InChI=1S/C29H41N3O6/c1-18(2)13-25(28(37)30-22(17-33)15-20-5-9-23(34)10-6-20)32-29(38)26(31-27(36)14-19(3)4)16-21-7-11-24(35)12-8-21/h5-12,18-19,22,25-26,33-35H,13-17H2,1-4H3,(H,30,37)(H,31,36)(H,32,38)/t22-,25-,26-/m0/s1 > OLPHZEDMFNLEAJ-HRNNMHKYSA-N > 3.8 > 527.29953604 > C29H41N3O6 > 527.7 > CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CC(C)C > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CC(C)C > 148 > 527.29953604 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 22 27 8 22 28 8 24 31 8 24 32 8 27 33 8 28 34 8 31 35 8 32 36 8 33 37 8 34 37 8 35 38 8 36 38 8 10 7 6 15 8 5 14 9 5 $$$$