70631676 -OEChem-05032422292D 101102 0 1 0 0 0 0 0999 V2000 13.8322 8.9190 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 7.5530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.8322 7.1870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 8.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 9.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 8.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 8.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 16.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 8.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 8.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 10.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 9.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 9.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 10.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 11.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 11.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 7.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 8.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 12.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 13.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 8.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 2 53 1 0 0 0 0 3 53 1 0 0 0 0 4 26 1 0 0 0 0 4 38 1 0 0 0 0 5 25 2 0 0 0 0 6 27 2 0 0 0 0 7 26 2 0 0 0 0 8 34 1 0 0 0 0 8 39 1 0 0 0 0 9 30 2 0 0 0 0 10 37 1 0 0 0 0 10 40 1 0 0 0 0 11 54 1 0 0 0 0 11101 1 0 0 0 0 12 54 2 0 0 0 0 19 13 1 1 0 0 0 13 25 1 0 0 0 0 13 61 1 0 0 0 0 21 14 1 1 0 0 0 14 27 1 0 0 0 0 14 70 1 0 0 0 0 20 15 1 6 0 0 0 15 30 1 0 0 0 0 15 71 1 0 0 0 0 31 16 1 1 0 0 0 16 82 1 0 0 0 0 16 83 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 57 1 0 0 0 0 19 26 1 0 0 0 0 19 58 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 20 59 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 21 60 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 29 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 34 1 0 0 0 0 31 75 1 0 0 0 0 32 35 1 0 0 0 0 32 76 1 0 0 0 0 33 36 2 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 37 2 0 0 0 0 35 80 1 0 0 0 0 36 37 1 0 0 0 0 36 81 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 41 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 42 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 42 45 2 0 0 0 0 42 46 1 0 0 0 0 43 47 1 0 0 0 0 43 91 1 0 0 0 0 44 48 2 0 0 0 0 44 92 1 0 0 0 0 45 50 1 0 0 0 0 45 93 1 0 0 0 0 46 51 2 0 0 0 0 46 94 1 0 0 0 0 47 49 2 0 0 0 0 47 95 1 0 0 0 0 48 49 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 50 52 2 0 0 0 0 50 98 1 0 0 0 0 51 52 1 0 0 0 0 51 99 1 0 0 0 0 52100 1 0 0 0 0 53 54 1 0 0 0 0 M END > 70631676 > 1 > 1040 > 13 > 5 > 19 > AAADcfB/vYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADSzhmBYyDoLABgCIAiHSGAACCAAgIAAIiIGOCIgOZjaEsTuXOCCm9hGYqAeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > methyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-benzyloxy-propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate;2,2,2-trifluoroacetic acid > (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylmethoxypropyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester;2,2,2-trifluoroacetic acid > methyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid > methyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid > methyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate;2,2,2-tris(fluoranyl)ethanoic acid > (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-benzoxy-propanoyl]amino]-3-(4-benzoxyphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-valeric acid methyl ester;2,2,2-trifluoroacetic acid > InChI=1S/C36H46N4O7.C2HF3O2/c1-24(2)19-32(36(44)45-4)40-33(41)25(3)38-35(43)31(39-34(42)30(37)23-46-21-27-11-7-5-8-12-27)20-26-15-17-29(18-16-26)47-22-28-13-9-6-10-14-28;3-2(4,5)1(6)7/h5-18,24-25,30-32H,19-23,37H2,1-4H3,(H,38,43)(H,39,42)(H,40,41);(H,6,7)/t25-,30+,31+,32+;/m1./s1 > ZNHGVQHYOIIPAO-OIGLBVJOSA-N > 760.32951358 > C38H47F3N4O9 > 760.8 > CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)N.C(=O)(C(F)(F)F)O > C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)[C@H](COCC3=CC=CC=C3)N.C(=O)(C(F)(F)F)O > 195 > 760.32951358 > 0 > 54 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 13 5 21 14 5 20 15 6 31 16 5 29 32 8 29 33 8 32 35 8 33 36 8 35 37 8 36 37 8 41 43 8 41 44 8 42 45 8 42 46 8 43 47 8 44 48 8 45 50 8 46 51 8 47 49 8 48 49 8 50 52 8 51 52 8 $$$$