Cyclo(phenylalanylprolyl-epsilon-aminocaproyl)
Basic information
- CAS
91926-58-8- Standard SMILES
O=C1CCCCCNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N1- InChIKey
JPBMWDBPMPJCFY-UHFFFAOYSA-N- Molecular formula
- C20H27N3O3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.20524173
Overview
structure given in first source; RN given refers to (L-Phe)-isomer
Names & identifiers
- Preferred name
- Cyclo(phenylalanylprolyl-epsilon-aminocaproyl)
- IUPAC
- 3-benzyl-1,4,11-triazabicyclo[11.3.0]hexadecane-2,5,12-trione
- English name
- cyclo(phenylalanylprolyl-epsilon-aminocaproyl)
- Molecular formula
- C20H27N3O3
- Molecular weight
- 357.44668
Names & synonyms
Cyclo(phe-pro-aca)Cyclo(phenylalanylprolyl-epsilon-aminocaproyl)91926-58-8RefChem:129303DTXSID6091944710-Benzyl-1,8-dihydroxy-3,4,5,6,7,10,13,14,15,15a-decahydro-11H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-11-one
Database identifiers
- CAS
91926-58-8- PubChem CID
- 124755
- DTXSID
DTXSID60919447
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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