Difelikefalin
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
Molecular Identity
Difelikefalin
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
PubChem CID: 24794466
2D Structure
Properties
C36H53N7O6
Molecular Formula
679.80
Molecular Weight
g/mol
679.4057
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
223
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NIsomeric SMILES
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)NSynonyms(20)
Difelikefalin1024828-77-0KorsuvaCR845CR-845MR13A9difelicefalinadifelikefalineFE202845NA1U919MROFE-202845MR-13A94-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 acidDTXSID4010328964-Piperidinecarboxylic acid, N1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-
Data from PubChem (NCBI)
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Drug Network
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