FRAGMENTA CYC141

pro_cas
pro_cdbregno
CCD08284204
pro_formula
C36 H55 N7 O6
pro_molWeight
681.873

basic_info

Product_Name: FRAGMENTA CYC141
EnglishSynonyms: FRAGMENTA CYC141
pro_mdlNumber: MFCD23380821
pro_acceptors: 13
pro_donors: 5
pro_smile: CCCC(C(C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5
InChi: InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25?,27-,28-,29?,30+/m0/s1
InChiKey: InChIKey=FTZGWEAUHOMNIG-VDWRTYLESA-N

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