Leucyl-leucyl-4-azido-2-nitrophenylalanine
Basic information
- CAS
83447-91-0- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])C(=O)O- InChIKey
MXOLCYJYVVFSMY-ULQDDVLXSA-N- Molecular formula
- C21H31N7O6
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.23358171
Names & identifiers
- Preferred name
- Leucyl-leucyl-4-azido-2-nitrophenylalanine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-azido-2-nitrophenyl)propanoic acid
- English name
- leucyl-leucyl-4-azido-2-nitrophenylalanine
- Molecular formula
- C21H31N7O6
- Molecular weight
- 477.51
Names & synonyms
LLANPLeucyl-leucyl-4-azido-2-nitrophenylalanineLeu-leu-4-azido-2-nitrophe83447-91-0L-Phenylalanine, 4-azido-N-(N-L-leucyl-L-leucyl)-2-nitro-RefChem:153135SCHEMBL30617462DTXSID001003437N-[(2S)-2-{[(2S)-2-Amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]-4-azido-2-nitro-L-phenylalanineN-{2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-methylpentylidene}-4-azido-2-nitrophenylalanine
Database identifiers
- CAS
83447-91-0- PubChem CID
- 134231
- DTXSID
DTXSID001003437
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 778
Physicochemical properties
- pka
- 3.285 · 3.285±0.12(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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