Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(/C(N)=N/O)cc1)NC(=O)c1ccc(C(C)(C)C)cc1- InChIKey
OPEVEJXFYOHESL-SFHVURJKSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
- IUPAC
- methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
Names & synonyms
SCHEMBL15019751
Database identifiers
- PubChem CID
- 89620330
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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