2 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -2.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 -1.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 0.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 -1.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 -1.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 2.2630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 -2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 -2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3026 -2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 -3.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -2.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3026 -3.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 1 0 2 6 1 1 4 7 1 0 4 8 1 0 5 9 1 0 6 10 1 0 7 11 1 1 7 12 1 0 8 13 1 0 9 14 1 0 9 15 2 0 10 16 1 0 11 17 1 0 11 18 2 0 12 13 1 0 14 19 1 0 14 20 1 1 16 21 1 0 22 17 1 6 19 23 1 0 20 24 1 0 21 25 1 0 22 26 1 0 22 27 1 0 23 28 1 0 24 29 1 0 24 30 2 0 26 31 1 0 26 32 1 0 27 33 1 0 27 34 2 0 28 35 1 0 35 36 1 0 36 37 1 0 36 38 1 1 37 39 1 0 37 40 2 0 38 41 1 0 39 42 1 0 41 43 1 0 41 44 2 0 42 45 1 0 42 46 1 1 45 47 2 0 45 48 1 0 46 49 1 0 48 50 1 0 48 51 1 0 49 52 1 0 50 53 1 1 50 54 1 0 51 55 1 0 52 56 1 0 53 57 1 0 53 58 2 0 54 55 1 0 56 59 1 0 60 57 1 1 60 61 1 0 60 62 1 0 61 63 1 0 61 64 1 0 62 65 1 0 62 66 2 0 M END
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司来普伐肽 Smile 编码: C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)C)CSSC[C@H](NC(=O)C)C(=O)N[C@@H](CCCCN)C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)=O
司来普伐肽 InChi 编码: 1S/C42H74N12O10S2/c1-23(2)33(35(45)57)51-39(61)31-15-11-19-53(31)41(63)27(13-7-9-17-43)49-37(59)29(47-25(5)55)21-65-66-22-30(48-26(6)56)38(60)50-28(14-8-10-18-44)42(64)54-20-12-16-32(54)40(62)52-34(24(3)4)36(46)58/h23-24,27-34H,7-22,43-44H2,1-6H3,(H2,45,57)(H2,46,58)(H,47,55)(H,48,56)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
司来普伐肽 InChiKey 编码: FCFPWJFJPROAIK-LGYYRGKSSA-N
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