Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCC(=O)NCCC(=O)OCc1ccccc1- InChIKey
CUPBCUIQUHIXKC-UHFFFAOYSA-N- Molecular formula
- C19H28N2O5
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- N-[4-(1-t-butoxyformamido)butyryl]-beta-alanine benzyl ester
- IUPAC
- benzyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
Names & synonyms
SCHEMBL7298164CUPBCUIQUHIXKC-UHFFFAOYSA-NN-[4-(1-t-butoxyformamido)butyryl]-beta-alanine benzyl ester
Database identifiers
- PubChem CID
- 19926286
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
3 records
Compound notes
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