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27513-44-6 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, methyl ester
CAS No: 27513-44-6 Catalog No: AG002TZN MDL No:
Product Description
Catalog Number:
AG002TZN
Chemical Name:
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, methyl ester
CAS Number:
27513-44-6
Molecular Formula:
C22H27NO5
Molecular Weight:
385.4535
IUPAC Name:
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
InChI:
InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(4)19(20(24)25)14-16-10-12-18(13-11-16)27-15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,24,25)/t19-/m0/s1
InChI Key:
FSNRGORPOYPIJC-IBGZPJMESA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
385.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.46g/mol
Monoisotopic Mass:
385.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| O-Benzyl-N-tert-butoxycarbonyl-N-methyl-L-tyrosine. | Acta crystallographica. Section C, Crystal structure communications 20020601 |
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