N-[(Benzyloxy)carbonyl]phenylalanylphenylalanine
Basic information
- CAS
13122-88-8- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O)OCc1ccccc1- InChIKey
JNRHNGGTJOBXHL-UHFFFAOYSA-N- Molecular formula
- C26H26N2O5
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.18417193
Names & identifiers
- Preferred name
- N-[(Benzyloxy)carbonyl]phenylalanylphenylalanine
- IUPAC
- 3-phenyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Names & synonyms
13122-88-8NSC524827N-[(Benzyloxy)carbonyl]phenylalanylphenylalanineSCHEMBL10049956DTXSID90326160HMS3338J18NSC-524827DS-001115N-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoyl)phenylalanine2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid3-Phenyl-2-[(3-phenyl-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acid
Database identifiers
- CAS
13122-88-8- PubChem CID
- 352089
- DTXSID
DTXSID90326160
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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