Basic information
- CAS
13116-21-7- Standard SMILES
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]- InChIKey
FEUPVVCGQLNXNP-IRXDYDNUSA-N- Molecular formula
- C20H23N3O4
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.16885622
Overview
See also: Glycyl-L-phenylalanyl-L-phenylalanine (preferred).
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
- IUPAC
- (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
Database identifiers
- CAS
13116-21-7- PubChem CID
- 6992406
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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