N-[(3,4-Dimethylphenyl)sulfonyl]-L-phenylalanine
Basic information
- CAS
381687-96-3- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1C- InChIKey
JSHQMHPOQIOUQR-INIZCTEOSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347909
Names & identifiers
- Preferred name
- N-[(3,4-Dimethylphenyl)sulfonyl]-L-phenylalanine
- IUPAC
- (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-phenylpropanoic acid
Names & synonyms
381687-96-3N-[(3,4-Dimethylphenyl)sulfonyl]-L-phenylalanineL-Phenylalanine, N-[(3,4-dimethylphenyl)sulfonyl]-DTXSID401239569N-(3,4-Dimethylbenzene-1-sulfonyl)-L-phenylalanine
Database identifiers
- CAS
381687-96-3- PubChem CID
- 704086
- DTXSID
DTXSID401239569
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
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Compound notes
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