Basic information
- Standard SMILES
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C.Cl- InChIKey
ONSHNQKEWXOXKB-JZKFLRDJSA-N- Molecular formula
- C16H25ClN2O3
- Average molar mass
- 328.83 g/mol
- Monoisotopic mass
- 328.1553704
Names & identifiers
- Preferred name
- N-(L-alaninyl)-L-phenylalanine tert-butyl ester hydrochloride
- IUPAC
- tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate;hydrochloride
Names & synonyms
SCHEMBL5966853ONSHNQKEWXOXKB-JZKFLRDJSA-NN-(L-alaninyl)-L-phenylalanine tert-butyl ester hydrochloride
Database identifiers
- PubChem CID
- 69622800
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Related reactions
6 records
Compound notes
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