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Z-Phe-Phe-Phe-OH

CAT: 0926-FP111539-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FP111539-01Size:250 mg
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CAS Number
57092-52-1
MDL Number
MFCD00238499
Smiles
C1=CC=C (C=C1) C[C@@H] (C (=O) N[C@@H] (CC2=CC=CC=C2) C (=O) O) NC (=O) [C@H] (CC3=CC=CC=C3) NC (=O) OCC4=CC=CC=C4
Molecular Formula
C35H35N3O6
Molecular Weight
593.67 g/mol
Controlled
No

Chemical Information

Z-Phe-phe-phe-OH
CAS Number57092-52-1
PubChem CID90473620
IUPAC Name(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoic acid
Molecular FormulaC35H35N3O6
Molecular Weight593.7
XLogP4.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity904
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C35H35N3O6/c39-32(37-31(34(41)42)23-27-17-9-3-10-18-27)29(21-25-13-5-1-6-14-25)36-33(40)30(22-26-15-7-2-8-16-26)38-35(43)44-24-28-19-11-4-12-20-28/h1-20,29-31H,21-24H2,(H,36,40)(H,37,39)(H,38,43)(H,41,42)/t29-,30-,31-/m0/s1
InChIKey
BQDHGVWUXAXFMT-CHQNGUEUSA-N
Chemical Structure
2D Structure
2D structure of Z-Phe-phe-phe-OH
CAS: 57092-52-1
CID: 90473620
Formula: C35H35N3O6
MW: 593.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight593.7
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass593.25258584
Monoisotopic Mass593.25258584
Topological Polar Surface Area134 Ų
Heavy Atom Count44
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes