D-Tyrosine, N-(3-(4-bromophenyl)-3-oxopropyl)-
Basic information
- CAS
85975-33-3- Standard SMILES
O=C(CCN[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(Br)cc1- InChIKey
QQHWNDRQFACMOZ-MRXNPFEDSA-N- Molecular formula
- C18H18BrNO4
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.04192
Names & identifiers
- Preferred name
- D-Tyrosine, N-(3-(4-bromophenyl)-3-oxopropyl)-
- IUPAC
- (2R)-2-[[3-(4-bromophenyl)-3-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
BRN 5300804D-Tyrosine, N-(3-(4-bromophenyl)-3-oxopropyl)-N-(3-(4-Bromophenyl)-3-oxopropyl)-D-tyrosine85975-33-3DTXSID00235315N-[3-(4-Bromophenyl)-3-oxopropyl]-D-tyrosineRefChem:336590DTXCID00157806
Database identifiers
- CAS
85975-33-3- PubChem CID
- 3070199
- DTXSID
DTXSID00235315
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
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Compound notes
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