Chemical ID: 4553905

Cc1c(c(=O)c2ccc(cc2o1)OC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)c4ccc5c(c4)OCCCO5
Chemical ID:
4553905
Name [?]:
[3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-methyl-4-oxo-chromen-7-yl] 3-phenyl-2-tert-butoxycarbonylamino-propanoate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)c4ccc5c(c4)OCCCO5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C33H33NO8
All Atoms:42
Heavy Atoms:42
Chiral Atoms:1
ZAP Information [?]
Total:13.5343
Area:799.934
Solvation:-6.46402
Coulombic:-84.5711
Bond Count [?]
All:46
Single:33
Double:13
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:571.617
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.15
LogP (Chemaxon):5.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue