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Z-Phe-ONp

CAT: 0024-sc-331964Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-331964Size:5 g
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CAS Number
2578-84-9

Chemical Information

Z-Phe-ONp
CAS Number2578-84-9
PubChem CID151025
IUPAC Name(4-nitrophenyl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Molecular FormulaC23H20N2O6
Molecular Weight420.4
XLogP4.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity587
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H20N2O6/c26-22(31-20-13-11-19(12-14-20)25(28)29)21(15-17-7-3-1-4-8-17)24-23(27)30-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)/t21-/m0/s1
InChIKey
TVENQUPLPBPLGU-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Z-Phe-ONp
CAS: 2578-84-9
CID: 151025
Formula: C23H20N2O6
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass420.13213636
Monoisotopic Mass420.13213636
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C-2345.0025Z-Phe-ONp
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FL111535-01Z-Lys (Z) -ONp
5-05140Z-Orn(Z)-ONP
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