Basic information
- Standard SMILES
CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)C(=O)O/N=C(\N)C(N)=O- InChIKey
BLLBEWAILBDISW-CQSZACIVSA-N- Molecular formula
- C19H33N3O5
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 4-O-tert-butyl 1-O-[(Z)-(1,2-diamino-2-oxoethylidene)amino] (2R)-2-(3-cyclohexylpropyl)butanedioate
- IUPAC
- 4-O-tert-butyl 1-O-[(Z)-(1,2-diamino-2-oxoethylidene)amino] (2R)-2-(3-cyclohexylpropyl)butanedioate
Names & synonyms
SCHEMBL6430228
Database identifiers
- PubChem CID
- 59909780
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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