Basic information
- Standard SMILES
COC(=O)c1ccccc1OCNC(=O)CCCCCNC(=O)OC(C)(C)C- InChIKey
AQOZAQHNLSSELT-UHFFFAOYSA-N- Molecular formula
- C20H30N2O6
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.21038668
Names & identifiers
- Preferred name
- methyl (N-tert-butoxycarbonyl-6-aminohexanoyl)aminomethylsalicylate
- IUPAC
- methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methoxy]benzoate
Names & synonyms
AQOZAQHNLSSELT-UHFFFAOYSA-Nmethyl (N-tert-butoxycarbonyl-6-aminohexanoyl)aminomethylsalicylate
Database identifiers
- PubChem CID
- 53657009
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
Related reactions
4 records
Compound notes
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