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82152-22-5 | L-Tyrosine, O-cyclopentyl-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 82152-22-5 Catalog No: AG0050ZU MDL No:
Product Description
Catalog Number:
AG0050ZU
Chemical Name:
L-Tyrosine, O-cyclopentyl-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
82152-22-5
Molecular Formula:
C19H27NO5
Molecular Weight:
349.4214
IUPAC Name:
(2S)-3-(4-cyclopentyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C19H27NO5/c1-19(2,3)25-18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)24-14-6-4-5-7-14/h8-11,14,16H,4-7,12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChI Key:
PVXVTCNWABCMST-INIZCTEOSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)OC1CCCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
349.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.427g/mol
Monoisotopic Mass:
349.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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