Compound: bentiromide
SMILES: O=C(O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)Cc3ccc(O)cc3)cc1
InChIKey: SPPTWHFVYKCNNK-FQEVSTJZSA-N
Synonyms: bentiromide, 37106-97-1, Btpaba, Chymex, Bentiromidum, Bentiromido, Btpaba Pft, BTPABA, PFT, BTPABAPFT, bentiromida, BTPABA-PFT, E-2663, N-Benzoyl-L-tyrosyl-p-aminobenzoic acid, Benzoyltyrosyl-p-aminobenzoic acid, 239IF5W61J, 4-[(2S)-3-(4-hydroxyphenyl)-2-(phenylformamido)propanamido]benzoic acid, DTXSID2048377, (S)-p-(alpha-Benzamido-p-hydroxyhydrocinnamamido)benzoic acid, CHEBI:31263, (S)-4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid, Benzoic acid, 4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)-, (S)-, N-benzoyl-l-tyrosyl-paba, 4-((2S)-3-(4-hydroxyphenyl)-2-(phenylformamido)propanamido)benzoic acid, PABA-peptide, benzoyl-tyrosyl-PABA, RefChem:117043, DTXCID2028351, V04CK03, 253-349-8, BZ-TYR-4-ABZ-OH, Bentiromidum [INN-Latin], Bentiromido [INN-Spanish], 4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid, MFCD00055768, PFT, (S)-4-(2-benzamido-3-(4-hydroxyphenyl)propanamido)benzoic acid, 4-[(N-benzoyl-L-tyrosyl)amino]benzoic acid, p-((N-Benzoyl-L-tyrosin)amido)benzoic acid, BRN 2910938, Ro 11-7891, UNII-239IF5W61J, 4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid, Bentiromide [USAN:BAN:INN:JAN], Bentiromide [USAN:INN:BAN:JAN], EINECS 253-349-8, Bentiromide (Standard), BT-PABA, BENTIROMIDE [MI], BENTIROMIDE [INN], BENTIROMIDE [JAN], BENTIROMIDE [USAN], BENTIROMIDE [VANDF], E 2663, BENTIROMIDE [MART.], BENTIROMIDE [WHO-DD], (S)-p-(.alpha.-Benzamido-p-hydroxyhydrocinnamamido)benzoic acid, SCHEMBL151634, orb1707575, CHEMBL1200368, HY-B1493R, BENTIROMIDE [ORANGE BOOK], SPPTWHFVYKCNNK-FQEVSTJZSA-N, HY-B1493, N-benzoyl-L-tyrosyl-p-aminobenzoate, EX-A12206, s4388, AKOS040741308, CCG-268691, DB00522, 4-(N-Benzoyl-L-tyrosyl)aminobenzoicacid, 4-(N-benzoyl-L-tyrosylamino)benzoic acid, DA-51499, MS-26906, CS-0013190, SW219774-1, AB01566933_01, Q793082, SR-01000883958, SR-01000883958-1, BRD-K58794715-001-01-8, BRD-K58794715-001-02-6, (4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Theoretical properties:
molecular_formula: C23H20N2O5
molecular_weight: 404.4 g/mol
exact_mass: 404.13722174 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 7
heavy_atom_count: 30
topological_polar_surface_area: 116 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 240-242
solubility: 4.12e-03 g/L
Descriptions:
pubchem: 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.
chebi: The dipeptide obtained by condensation of <em>N</em>-benzoyl-<small>L</small>-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.
chembl: BENTIROMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. Bentiromide is not available in the United States or Canada; it was withdrawn in the US in October 1996.