CITROPEPTIN

pro_cas
128554-13-2
pro_cdbregno
CCD00179271
pro_formula
C50 H82 N8 O15
pro_molWeight
1035.24

basic_info

Product_Name: CITROPEPTIN
CAS: 128554-13-2
EnglishSynonyms: CITROPEPTIN
pro_mdlNumber: MFCD00893803
pro_acceptors: 23
pro_donors: 8
pro_smile: C/C=C(\C)/C(=O)C(C)/C=C(\C)/C1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CCCNN3C(=O)C(N(C(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)C)CC(C)C)C(C)O)C(C)C)O)O)C
InChi: InChI=1S/C50H82N8O15/c1-14-28(6)39(60)30(8)24-31(9)41-29(7)19-20-50(69,73-41)49(11,68)48(67)54-38-40(27(4)5)72-47(66)37(32(10)59)53-42(61)33-17-15-21-51-56(33)44(63)35(23-26(2)3)55(12)43(62)36(25-71-13)58(70)45(64)34-18-16-22-52-57(34)46(38)65/h14,24,26-27,29-30,32-38,40-41,51-52,59,68-70H,15-23,25H2,1-13H3,(H,53,61)(H,54,67)/b28-14+,31-24+
InChiKey: InChIKey=HHBCEPSFYPJHIF-AIRRWTJMSA-N

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