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HOE-288

CAT: 0931-T68309-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68309-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93231-79-9
Target
Others
Related Pathways
Others
Bioactivity
HOE-288 is a converting enzyme (CE) inhibitor.
Smiles
C(C(NC(CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2CC3(C4CCC(C3)CC4)CC2C(O)=O
Molecular Formula
C27H38N2O5
Molecular Weight
470.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hoe 288

structure given in first source

CAS Number93231-79-9
PubChem CID130318
IUPAC Name1'-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-2'-carboxylic acid
Molecular FormulaC27H38N2O5
Molecular Weight470.6
XLogP2.3
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity743
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CC4CCC3CC4)CC2C(=O)O
InChI
InChI=1S/C27H38N2O5/c1-3-34-26(33)22(14-11-19-7-5-4-6-8-19)28-18(2)24(30)29-17-27(16-23(29)25(31)32)15-20-9-12-21(27)13-10-20/h4-8,18,20-23,28H,3,9-17H2,1-2H3,(H,31,32)
InChIKey
NWHCDUODNHUNLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hoe 288
CAS: 93231-79-9
CID: 130318
Formula: C27H38N2O5
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass470.27807232
Monoisotopic Mass470.27807232
Topological Polar Surface Area95.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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