API reference

Difelikefalin acetate

CAS number
1024829-44-4
Molecular formula
C38H57N7O8
Molecular weight
739.9 g/mol
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Difelikefalin acetate — 2D structure
2D structure (PubChem)

Identifiers

IUPAC name
acetic acid;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
InChIKey
MZWHRPKAHCWTOI-KGURMGBCSA-N
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.CC(=O)O
Other CAS numbers recorded
2803411-76-7
PubChem CID
91864509

Also known as

Difelikefalin acetate · CR845 acetate · CR-845 acetate · Difelikefalin XAcetate · Difelikefalin (acetate)

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