Basic information
- CAS
13716-75-1- Standard SMILES
CN(CC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)OCc1ccccc1- InChIKey
BHYPYZSIYBMNIK-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15287181
Names & identifiers
- Preferred name
- 2-[[2-[Methyl(phenylmethoxycarbonyl)amino]acetyl]amino]-3-phenylpropanoic acid
- IUPAC
- 2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]-3-phenylpropanoic acid
Names & synonyms
13716-75-1NSC3341862-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]-3-phenylpropanoic acidDTXSID50318708NSC-334186DS-012752N-[(Benzyloxy)carbonyl]-N-methylglycylphenylalanine2-[[2-(Methyl-phenylmethoxycarbonyl-amino)acetyl]amino]-3-phenyl-propanoic acid
Database identifiers
- CAS
13716-75-1- PubChem CID
- 333398
- DTXSID
DTXSID50318708
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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