N-Benzoylhistidine
Basic information
- CAS
19785-88-7- Standard SMILES
O=C(NC(Cc1cnc[nH]1)C(=O)O)c1ccccc1- InChIKey
AUDPUFBIVWMAED-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- N-Benzoylhistidine
- IUPAC
- 2-benzamido-3-(1H-imidazol-5-yl)propanoic acid
Names & synonyms
N-Benzoylhistidinebenzoylhistidine3-(1H-Imidazol-4-yl)-2-(phenylformamido)propanoic acid14056-33-82-benzamido-3-(1H-imidazol-5-yl)propanoic acid19785-88-7BenzoylhistidinMFCD00037850Nalpha-benzoyl-L-histidineBz-L-His-OHAKOS037644224Benzoyl-d,l-histidin
Show more names
CS-0201937Na-benzoyl-L-histidineMLS000704615SCHEMBL1310658CHEMBL1366597DTXSID90941574(2S)-3-(1H-imHMS2613J15
Database identifiers
- CAS
19785-88-7、5354-94-9- PubChem CID
- 100001
- ChEMBL
CHEMBL1366597
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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