Basic information
- CAS
62568-74-5- Standard SMILES
CC(=O)N[C@@H](Cc1cnc(N=Nc2ccc(Sc3ncnc4c3ncn4C)cc2)[nH]1)C(=O)O- InChIKey
PITFPTLBZBAYED-HNNXBMFYSA-N- Molecular formula
- C20H19N9O3S
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.13315668
Names & identifiers
- Preferred name
- N-Acetyl-3-[2-(2-{4-[(9-methyl-9H-purin-6-yl)sulfanyl]phenyl}hydrazinylidene)-2H-imidazol-4-yl]-L-alanine
- IUPAC
- (2S)-2-acetamido-3-[2-[[4-(9-methylpurin-6-yl)sulfanylphenyl]diazenyl]-1H-imidazol-5-yl]propanoic acid
Names & synonyms
62568-74-5DTXSID40807398N-Acetyl-3-[2-(2-{4-[(9-methyl-9H-purin-6-yl)sulfanyl]phenyl}hydrazinylidene)-2H-imidazol-4-yl]-L-alanine
Database identifiers
- CAS
62568-74-5- PubChem CID
- 136270959
- DTXSID
DTXSID40807398
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 721
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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