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Home Other Building Blocks L-Phenylalanine, N-[1-oxo-4-(1-pyrenyl)butyl]-

L-Phenylalanine, N-[1-oxo-4-(1-pyrenyl)butyl]-

CAS No.:
199612-75-4
Catalog Number:
AG002C90
Molecular Formula:
C29H25NO3
Molecular Weight:
435.5137
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Product Description
Catalog Number:
AG002C90
Chemical Name:
L-Phenylalanine, N-[1-oxo-4-(1-pyrenyl)butyl]-
CAS Number:
199612-75-4
Molecular Formula:
C29H25NO3
Molecular Weight:
435.5137
MDL Number:
MFCD01863448
IUPAC Name:
(2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoic acid
InChI:
InChI=1S/C29H25NO3/c31-26(30-25(29(32)33)18-19-6-2-1-3-7-19)11-5-8-20-12-13-23-15-14-21-9-4-10-22-16-17-24(20)28(23)27(21)22/h1-4,6-7,9-10,12-17,25H,5,8,11,18H2,(H,30,31)(H,32,33)/t25-/m0/s1
InChI Key:
DPTMGBIKSPWCNS-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
UNII:
7U77MPQ0M2
Properties
Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
435.183g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
435.523g/mol
Monoisotopic Mass:
435.183g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  
Literature
Title Journal
FTIR spectroscopic study on the interaction between a fluoroionophore and metal ions. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20070701
Structural and orientational studies of chiral N-[4(1-pyrene)butyroyl]-phenylalanine in cast film. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050901
Properties