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Z-Glu-Phe-OH

CAT: 0024-sc-296753ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-296753ASize:5 g
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CAS Number
987-84-8

Chemical Information

3-phenyl-N-(N-((phenylmethoxy)carbonyl)-L-alpha-glutamyl)-L-alanine
CAS Number987-84-8
PubChem CID95545
IUPAC Name5-[(1-carboxy-2-phenylethyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC22H24N2O7
Molecular Weight428.4
XLogP1.3
Topological Polar Surface Area142
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity613
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)
InChIKey
ZORDBMVWKMEZAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-phenyl-N-(N-((phenylmethoxy)carbonyl)-L-alpha-glutamyl)-L-alanine
CAS: 987-84-8
CID: 95545
Formula: C22H24N2O7
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass428.15835111
Monoisotopic Mass428.15835111
Topological Polar Surface Area142 Ų
Heavy Atom Count31
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C-2390.0025Z-Phe-Glu-OH
278503-01Z-Glu-Phe-OH
242718-01Z-Glu-Phe-OH 99+%
4000601.0025Z-Phe-Phe-OH
C-3025.0250Z-Phe-Phe-Phe-OH
MBS405368-01Z-Glu-OH
C-2310.0100Z-Phe-OH

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