N5-(3-acetoxypropyl)-2-(benzyloxycarbonylamino)-N1-n-propylpentane-1,5-diamide
Basic information
- Standard SMILES
CCCNC(=O)C(CCC(=O)NCCCOC(C)=O)NC(=O)OCc1ccccc1- InChIKey
UBGKEJGLXDTHHU-UHFFFAOYSA-N- Molecular formula
- C21H31N3O6
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- N5-(3-acetoxypropyl)-2-(benzyloxycarbonylamino)-N1-n-propylpentane-1,5-diamide
- IUPAC
- 3-[[5-oxo-4-(phenylmethoxycarbonylamino)-5-(propylamino)pentanoyl]amino]propyl acetate
Names & synonyms
UBGKEJGLXDTHHU-UHFFFAOYSA-NN5 -(3-acetoxypropyl)-2-(benzyloxycarbonylamino)-N1 -n-propylpentane-1,5-diamide
Database identifiers
- PubChem CID
- 13630459
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
Related reactions
1 records
Compound notes
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