D-Phenylalanine, N-(3-(4-nitrophenyl)-3-oxopropyl)-
Basic information
- CAS
85975-29-7- Standard SMILES
O=C(CCN[C@H](Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
MUPOVRVYLVGJBT-MRXNPFEDSA-N- Molecular formula
- C18H18N2O5
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.12157168
Names & identifiers
- Preferred name
- D-Phenylalanine, N-(3-(4-nitrophenyl)-3-oxopropyl)-
- IUPAC
- (2R)-2-[[3-(4-nitrophenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid
Names & synonyms
BRN 4300098D-Phenylalanine, N-(3-(4-nitrophenyl)-3-oxopropyl)-N-(3-(4-Nitrophenyl)-3-oxopropyl)-D-phenylalanine85975-29-7DTXSID20235312N-[3-(4-Nitrophenyl)-3-oxopropyl]-D-phenylalanineRefChem:336548DTXCID20157803
Database identifiers
- CAS
85975-29-7- PubChem CID
- 3070191
- DTXSID
DTXSID20235312
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
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Compound notes
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