67565473 -OEChem-05102418402D 77 77 0 1 0 0 0 0 0999 V2000 2.8660 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 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 7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 3 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 5.4641 -1.0000 0.0000 C 0 0 0 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 3.7320 -1.0000 0.0000 C 0 0 3 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 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 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 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -2.3660 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 2.0000 -3.0000 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 5.4641 2.0000 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 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5000 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 5.7932 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8100 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 7.4082 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7573 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 34 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 30 2 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 45 1 0 0 0 0 9 19 1 0 0 0 0 21 9 1 1 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 6 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 21 52 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 31 1 0 0 0 0 27 65 1 0 0 0 0 28 32 2 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 31 33 2 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 M END > 67565473 > 1 > 648 > 7 > 2 > 17 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgQQAAAADXzl2AayCILABAiIAiHSGAICAAAgABAIiIHIAIkKIDKgkTSPIAAk1gGYiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (2S)-2-[[2-[(3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate > (2S)-2-[[2-[(3S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentoxy]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester > methyl (2S)-2-[[2-[(3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate > methyl (2S)-2-[[2-[(3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate > methyl (2S)-2-[[2-[(3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate > (2S)-2-[[2-[(3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester > InChI=1S/C26H42N2O6S/c1-8-18(2)21(28-25(31)34-26(3,4)5)17-33-22(16-19-12-10-9-11-13-19)23(29)27-20(14-15-35-7)24(30)32-6/h9-13,18,20-22H,8,14-17H2,1-7H3,(H,27,29)(H,28,31)/t18-,20-,21?,22?/m0/s1 > LNCFJYOFJMSHQC-UBHSMVFVSA-N > 4.8 > 510.27635824 > C26H42N2O6S > 510.7 > CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)OC(C)(C)C > CC[C@H](C)C(COC(CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)OC(C)(C)C > 128 > 510.27635824 > 0 > 35 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 13 3 15 17 3 22 27 8 22 28 8 27 31 8 28 32 8 31 33 8 32 33 8 21 9 5 $$$$