API0233653
Difelikefalin
Difelikefalin is used to treat itching in dialysis patients.
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CAS No.
1024828-77-0
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Synonyms
Difelikefalin; CR845
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Molecule Type
Protein
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Compound CID
24794466
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Molecular Weight (g/mol)
679.8
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Molecular Formula
C36H53N7O6
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InChI
InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1
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InChIKey
FWMNVWWHGCHHJJ-SKKKGAJSSA-N
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SMILES
CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N
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IUPAC Name
4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
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Exact Mass (Da)
679.40573244
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Monoisotopic Mass (Da)
679.40573244
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