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80971-82-0 | L-Tyrosine, O-acetyl-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 80971-82-0 Catalog No: AG0039UC MDL No:MFCD00057973
Product Description
Catalog Number:
AG0039UC
Chemical Name:
L-Tyrosine, O-acetyl-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
80971-82-0
Molecular Formula:
C16H21NO6
Molecular Weight:
323.3410
MDL Number:
MFCD00057973
IUPAC Name:
(2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H21NO6/c1-10(18)22-12-7-5-11(6-8-12)9-13(14(19)20)17-15(21)23-16(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,21)(H,19,20)/t13-/m0/s1
InChI Key:
SDJFTIPPLLFDSG-ZDUSSCGKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)OC(=O)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.345g/mol
Monoisotopic Mass:
323.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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