Basic information
- CAS
3786-08-1- Standard SMILES
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O- InChIKey
DWIHCEZUWCRUES-IRXDYDNUSA-N- Molecular formula
- C20H20I2N2O5
- Average molar mass
- 622.2 g/mol
- Monoisotopic mass
- 621.94617
Names & identifiers
- Preferred name
- N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine
- IUPAC
- (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Names & synonyms
3786-08-1N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosineRefChem:1091526Ac-Phe-3,5-diiodo-Tyr-OHN-Acetyl-L-phenylalanyl-L-diiodotyrosineMFCD00002180(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidN-Acetyl-L-Phe-3,5-diiodo-L-Tyr(S)-2-((S)-2-Acetamido-3-phenylpropanamido)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acidAC1L994XC20H20I2N2O5
Show more names
SureCN4875012SCHEMBL4875012Ac-Phe-Tyr(3,5-DiI)-OHA0993NS00047069C04418L-Tyrosine, N-acetyl-L-phenylalanyl-3,5-diiodo-L-Tyrosine, N-(N-acetyl-L-phenylalanyl)-3,5-diiodo-
Database identifiers
- CAS
3786-08-1- PubChem CID
- 440331
- EC Number
- 223-254-6
- Nikkaji
- J207.953D
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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