Basic information
- CAS
3786-08-1- Standard SMILES
CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O- InChIKey
DWIHCEZUWCRUES-UHFFFAOYSA-N- Molecular formula
- C20H20I2N2O5
- Average molar mass
- 622.2 g/mol
- Monoisotopic mass
- 621.94617
Overview
N-acetyl-L-phenylalanyl-L-diiodotyrosine is a dipeptide composed of N-acetyl-L-phenylalanine and 3,5-diiodo-L-tyrosine joined together by a peptide linkage. It is a synthetic substrate for pepsin. It is functionally related to a 3,5-diiodo-L-tyrosine and a N-acetyl-L-phenylalanine.
Names & identifiers
- Preferred name
- N-acetylphenylalanyl-3,5-diiodotyrosine
- IUPAC
- 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Names & synonyms
N-Acetylphenylalanyl-3,5-diiodotyrosineN-acetyl-Phe-3,5-diiodo-TyrRefChem:162795APDT-3,5Ac-Phe-3,5-diI-Tyr-OHN-Acetyl-L-phenylalanyl-L-3,5-diiodotyrosineN-Acetyl-L-Phe-3,5-diiodo-L-TyrAPDTCHEBI:28253DTXSID90958900EINECS 223-254-6NSC334284
Show more names
acetyl-L-phenylalanyl-L-diiodotyrosineAKOS024319376NSC 334284NSC-334284N-acetyl-L-Phe-3,5-diiodo-L-Tyr-OHDB-049204ST50410911G85413
Database identifiers
- CAS
3786-08-1- PubChem CID
- 100101
- DTXSID
DTXSID90958900- ChEBI
CHEBI:28253
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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