N-acetylphenylalanyl-3,5-diiodotyrosine
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Molecular Identity
N-acetylphenylalanyl-3,5-diiodotyrosine
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
PubChem CID: 100101
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.
2D Structure
Properties
C20H20I2N2O5
Molecular Formula
622.20
Molecular Weight
g/mol
621.9462
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
573
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)OIsomeric SMILES
SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)OSynonyms(20)
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 223-254-6NSC334284acetyl-L-phenylalanyl-L-diiodotyrosineAKOS024319376NSC 334284
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-acetylphenylalanyl-3,5-diiodotyrosine
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