BIBO 3304 trifluoroacetate

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CAT No:PI-017

CAS No:191868-14-1

Synonyms/Alias:BIIE-0246, BIIE 0246, BIIE-0246, CHEMBL540989, GTPL1547, CTK8E9439, BIIE0246

Chemical Name:(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide;2,2,2-trifluoroacetic acid

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M.F/FormulaC29H35N7O3.2CF3CO2H
M.W/Mr.757.69
InChIInChI=1S/C29H35N7O3.2C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;2*3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);2*(H,6,7)/t24-;;/m1../s1
InChI KeyXWZMETGYCRXJJH-PPLJNSMQSA-N
Canonical SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
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