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201660-12-0 | Tyrosine, N-benzoyl-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-
CAS No: 201660-12-0 Catalog No: AG002DKL MDL No:
Product Description
Catalog Number:
AG002DKL
Chemical Name:
Tyrosine, N-benzoyl-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-
CAS Number:
201660-12-0
Molecular Formula:
C28H26N2O5
Molecular Weight:
470.5164
IUPAC Name:
(2S)-2-benzamido-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
InChI:
InChI=1S/C28H26N2O5/c1-19-24(30-27(35-19)22-10-6-3-7-11-22)16-17-34-23-14-12-20(13-15-23)18-25(28(32)33)29-26(31)21-8-4-2-5-9-21/h2-15,25H,16-18H2,1H3,(H,29,31)(H,32,33)/t25-/m0/s1
InChI Key:
JBWFEVRTUCSTOK-VWLOTQADSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
470.184g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.525g/mol
Monoisotopic Mass:
470.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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