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Boc-Tyr-OH

CAT: 0024-sc-239401Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239401Size:5 g
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CAS Number
3978-80-1

Chemical Information

L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-

N-Boc-L-tyrosine is a L-tyrosine derivative that is L-tyrosine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is a tert-butyl ester and a L-tyrosine derivative.

CAS Number3978-80-1
PubChem CID117439
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC14H19NO5
Molecular Weight281.30
XLogP1.5
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity342
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKey
CNBUSIJNWNXLQQ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-
CAS: 3978-80-1
CID: 117439
Formula: C14H19NO5
MW: 281.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.30
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass281.12632271
Monoisotopic Mass281.12632271
Topological Polar Surface Area95.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes