69771587 -OEChem-04162413092D 70 71 0 1 0 0 0 0 0999 V2000 6.3301 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 2 55 1 0 0 0 0 3 56 1 0 0 0 0 4 15 2 0 0 0 0 6 22 2 0 0 0 0 10 7 1 6 0 0 0 7 11 1 0 0 0 0 7 39 1 0 0 0 0 8 15 1 0 0 0 0 19 8 1 6 0 0 0 8 52 1 0 0 0 0 9 22 1 0 0 0 0 9 33 1 0 0 0 0 9 59 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 M END > 69771587 > 1 > 672 > 6 > 5 > 13 > AAADcfB7OAIAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHggQCCAADSjJmAQyAILAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [1-[[(1S)-1-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-phenyl-propyl]phosphonic acid > [1-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-phenylpropyl]phosphonic acid > [1-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-phenylpropyl]phosphonic acid > [1-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-phenylpropyl]phosphonic acid > [1-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-phenyl-propyl]phosphonic acid > [1-[[(1S)-1-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-methyl-butyl]amino]-3-phenyl-propyl]phosphonic acid > InChI=1S/C25H36N3O5P/c1-18(2)16-21(27-23(34(31,32)33)15-14-19-10-6-4-7-11-19)25(30)28-22(24(29)26-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,27H,14-17H2,1-3H3,(H,26,29)(H,28,30)(H2,31,32,33)/t21-,22-,23?/m0/s1 > LYFTYDBNWKYIJK-OJSMNCEXSA-N > 0.6 > 489.23925826 > C25H36N3O5P > 489.5 > CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(CCC2=CC=CC=C2)P(=O)(O)O > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC)NC(CCC2=CC=CC=C2)P(=O)(O)O > 128 > 489.23925826 > 0 > 34 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 3 20 24 8 20 25 8 23 28 8 23 29 8 24 26 8 25 27 8 26 30 8 27 30 8 28 31 8 29 32 8 31 34 8 32 34 8 10 7 6 19 8 6 $$$$