cyclo[DL-Ala-Gly-DL-xiIle-DL-Phe-DL-Leu-DL-Tyr]
Basic information
- Standard SMILES
CCC(C)C1N=C(O)CN=C(O)C(C)N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(CC(C)C)N=C(O)C(Cc2ccccc2)N=C1O- InChIKey
XSRPBBXFWVVZRV-UHFFFAOYSA-N- Molecular formula
- C35H48N6O7
- Average molar mass
- 664.8 g/mol
- Monoisotopic mass
- 664.35844788
Names & identifiers
- Preferred name
- cyclo[DL-Ala-Gly-DL-xiIle-DL-Phe-DL-Leu-DL-Tyr]
- IUPAC
- 12-benzyl-15-butan-2-yl-6-[(4-hydroxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,120
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…