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Z-Phe-Tyr-aldehyde

CAT: 0926-FP111065-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FP111065-01Size:2 mg
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CAS Number
167498-29-5
Synonyms
Z-FY-CHO, Cathepsin-L inhibitor
Smiles
C1=CC=C (C=C1) C[C@@H] (C (=O) N[C@@H] (CC2=CC=C (C=C2) O) C=O) NC (=O) OCC3=CC=CC=C3
Molecular Formula
C26H26N2O5
Molecular Weight
446.5 g/mol
Controlled
No

Chemical Information

N-(Benzyloxycarbonyl)-L-phenylalanyl-L-tyrosinal
CAS Number167498-29-5
PubChem CID10456222
IUPAC Namebenzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular FormulaC26H26N2O5
Molecular Weight446.5
XLogP3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity608
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C=O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
InChIKey
QVDJMLQSYRSZKC-UPVQGACJSA-N
Chemical Structure
2D Structure
2D structure of N-(Benzyloxycarbonyl)-L-phenylalanyl-L-tyrosinal
CAS: 167498-29-5
CID: 10456222
Formula: C26H26N2O5
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass446.18417193
Monoisotopic Mass446.18417193
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes