Bentiromide
4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Molecular Identity
Bentiromide
4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
PubChem CID: 6957673
Bentiromide is the dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: the amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. It has a role as a diagnostic agent, a reagent and an indicator.
2D Structure
Properties
C23H20N2O5
Molecular Formula
404.40
Molecular Weight
g/mol
404.1372
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
588
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)OSynonyms(20)
bentiromide37106-97-1BtpabaChymexBentiromidoBentiromidumBtpaba PftBTPABA, PFTBTPABAPFTBTPABA-PFTBenzoyltyrosyl-p-aminobenzoic acidE-2663bentiromidaN-Benzoyl-L-tyrosyl-p-aminobenzoic acid239IF5W61J
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bentiromide
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