44201473 -OEChem-03282420572D 88 90 0 1 0 0 0 0 0999 V2000 6.3301 -7.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 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 6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0000 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 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -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 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 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 3.7320 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.0000 0.0000 C 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 6.8671 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 13 2 1 6 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 20 2 0 0 0 0 6 32 1 0 0 0 0 6 87 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 61 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 1 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 46 1 0 0 0 0 10 14 1 1 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 47 1 0 0 0 0 11 19 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 21 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 52 1 0 0 0 0 14 20 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 17 25 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 19 30 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 31 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 32 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 41 2 0 0 0 0 25 66 1 0 0 0 0 26 33 1 0 0 0 0 26 67 1 0 0 0 0 27 34 2 0 0 0 0 27 68 1 0 0 0 0 28 35 1 0 0 0 0 28 69 1 0 0 0 0 29 36 2 0 0 0 0 29 70 1 0 0 0 0 30 42 2 0 0 0 0 30 71 1 0 0 0 0 31 39 2 0 0 0 0 31 40 1 0 0 0 0 32 72 1 0 0 0 0 32 73 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 38 80 1 0 0 0 0 39 43 1 0 0 0 0 39 78 1 0 0 0 0 40 44 2 0 0 0 0 40 79 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 45 2 0 0 0 0 43 85 1 0 0 0 0 44 45 1 0 0 0 0 44 86 1 0 0 0 0 45 88 1 0 0 0 0 M END > 44201473 > 1 > 909 > 6 > 2 > 20 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADRThmA4wCIPABgCIAiHSGACCAAAgAAAIiIEIDIgKNjKAsRmHMAhk1gGYqAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxo-ethyl]pent-4-enoyl]amino]-1-phenyl-ethyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate > (2S)-2-[(4-fluorophenyl)methyl]-5-hexenoic acid [(1S)-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-1-phenylethyl] ester > [(1S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate > [(1S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate > [(1S)-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-1-phenyl-ethyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate > (2S)-2-(4-fluorobenzyl)hex-5-enoic acid [(1S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]pent-4-enoyl]amino]-1-phenyl-ethyl] ester > InChI=1S/C37H43FN2O5/c1-3-5-15-32(24-28-18-20-33(38)21-19-28)37(44)45-34(30-16-10-7-11-17-30)26-39-36(43)31(12-4-2)25-35(42)40(22-23-41)27-29-13-8-6-9-14-29/h3-4,6-11,13-14,16-21,31-32,34,41H,1-2,5,12,15,22-27H2,(H,39,43)/t31-,32+,34-/m1/s1 > NOPBTFLPWKCWON-HWIYEDSRSA-N > 5.8 > 614.31560064 > C37H43FN2O5 > 614.7 > C=CCCC(CC1=CC=C(C=C1)F)C(=O)OC(CNC(=O)C(CC=C)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3 > C=CCC[C@@H](CC1=CC=C(C=C1)F)C(=O)O[C@H](CNC(=O)[C@H](CC=C)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3 > 95.9 > 614.31560064 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 13 2 6 21 26 8 21 27 8 22 28 8 22 29 8 26 33 8 27 34 8 28 35 8 29 36 8 31 39 8 31 40 8 33 37 8 34 37 8 35 38 8 36 38 8 39 43 8 40 44 8 43 45 8 44 45 8 9 11 5 $$$$