VAL-HIS-LEU-THR-PRO-VAL-GLU-LYS ACETATE SALT

pro_cas
pro_cdbregno
CCD08020985
pro_formula
C42 H71 N11 O12 . C2 H4 O2
pro_molWeight
982.14

basic_info

Product_Name: VAL-HIS-LEU-THR-PRO-VAL-GLU-LYS ACETATE SALT
EnglishSynonyms: VAL-HIS-LEU-THR-PRO-VAL-GLU-LYS ACETATE SALT
pro_mdlNumber: MFCD00133916
pro_acceptors: 23
pro_donors: 12
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C(C)C)N.CC(=O)O
InChi: InChI=1S/C42H71N11O12.C2H4O2/c1-21(2)17-28(49-36(58)29(18-25-19-45-20-46-25)50-39(61)32(44)22(3)4)37(59)52-34(24(7)54)41(63)53-16-10-12-30(53)38(60)51-33(23(5)6)40(62)47-26(13-14-31(55)56)35(57)48-27(42(64)65)11-8-9-15-43;1-2(3)4/h19-24,26-30,32-34,54H,8-18,43-44H2,1-7H3,(H,45,46)(H,47,62)(H,48,57)(H,49,58)(H,50,61)(H,51,60)(H,52,59)(H,55,56)(H,64,65);1H3,(H,3,4)/t24-,26+,27+,28+,29+,30+,32+,33+,34+;/m1./s1
InChiKey: InChIKey=GKFAWQMAXYQMIS-VRVFGYFXSA-N

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