71305077 -OEChem-05072408512D 87 87 0 1 0 0 0 0 0999 V2000 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 24 2 0 0 0 0 3 29 2 0 0 0 0 4 34 1 0 0 0 0 4 80 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 36 1 0 0 0 0 7 82 1 0 0 0 0 8 36 2 0 0 0 0 9 40 2 0 0 0 0 10 41 2 0 0 0 0 18 11 1 6 0 0 0 11 24 1 0 0 0 0 11 50 1 0 0 0 0 12 20 1 0 0 0 0 25 12 1 6 0 0 0 12 59 1 0 0 0 0 21 13 1 6 0 0 0 13 29 1 0 0 0 0 13 62 1 0 0 0 0 28 14 1 6 0 0 0 14 33 1 0 0 0 0 14 69 1 0 0 0 0 30 15 1 1 0 0 0 15 41 1 0 0 0 0 15 75 1 0 0 0 0 16 40 1 0 0 0 0 16 86 1 0 0 0 0 16 87 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 49 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 0 0 0 0 25 58 1 0 0 0 0 26 36 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 32 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 28 65 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 37 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 38 2 0 0 0 0 32 39 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 37 40 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 42 1 0 0 0 0 38 76 1 0 0 0 0 39 43 2 0 0 0 0 39 77 1 0 0 0 0 41 45 1 0 0 0 0 42 44 2 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 81 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 M END > 71305077 > 1 > 1090 > 10 > 8 > 19 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADSjBmAQyCILAAgCIAiHSGAACAAAgAAAIiIGIAIgKYDqAkTGUYAAmlgCYiAe/y6COAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxo-pentanoyl]amino]propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-amino-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-keto-pentanoyl]amino]propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-keto-butyric acid > InChI=1S/C29H42N6O10/c1-15(2)12-20(27(42)35-22(29(44)45)13-18-8-6-5-7-9-18)34-28(43)21(14-24(38)39)33-25(40)16(3)31-26(41)19(32-17(4)36)10-11-23(30)37/h5-9,15-16,19-22H,10-14H2,1-4H3,(H2,30,37)(H,31,41)(H,32,36)(H,33,40)(H,34,43)(H,35,42)(H,38,39)(H,44,45)/t16-,19-,20-,21-,22-/m0/s1 > IXLXMLODZBABBN-XSXWSVAESA-N > -0.6 > 634.29624156 > C29H42N6O10 > 634.7 > CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C > C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C > 263 > 634.29624156 > 0 > 45 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 11 6 25 12 6 21 13 6 28 14 6 30 15 5 32 38 8 32 39 8 38 42 8 39 43 8 42 44 8 43 44 8 $$$$