HIPPURYL-HIS-LEU ACETATE SALT

pro_cas
103404-54-2
pro_cdbregno
CCD00045934
pro_formula
C21 H27 N5 O5 . C2 H4 O2
pro_molWeight
489.526

basic_info

Product_Name: HIPPURYL-HIS-LEU ACETATE SALT
CAS: 103404-54-2
EnglishSynonyms: HIPPURYL-HIS-LEU ACETATE SALT ; NBZ-GLY-HIS-LEU ACETATE SALT ; N-BENZOYL-GLY-HIS-LEU ACETATE SALT
pro_mdlNumber: MFCD00069669
pro_acceptors: 10
pro_donors: 5
pro_smile: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c2ccccc2.CC(=O)O
InChi: InChI=1S/C21H27N5O5.C2H4O2/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14;1-2(3)4/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31);1H3,(H,3,4)/t16-,17-;/m0./s1
InChiKey: InChIKey=NSEVQQKNHZCIKL-QJHJCNPRSA-N

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