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133373-24-7 | L-Tyrosine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS No: 133373-24-7 Catalog No: AG0014R1 MDL No:MFCD02684471
Product Description
Catalog Number:
AG0014R1
Chemical Name:
L-Tyrosine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS Number:
133373-24-7
Molecular Formula:
C29H31NO5
Molecular Weight:
473.5601
MDL Number:
MFCD02684471
IUPAC Name:
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
InChI:
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-13-19(14-16-20)17-26(27(31)32)30(4)28(33)34-18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,25-26H,17-18H2,1-4H3,(H,31,32)/t26-/m0/s1
InChI Key:
WTLSDEYZKFJXFT-SANMLTNESA-N
SMILES:
O=C(N([C@H](C(=O)O)Cc1ccc(cc1)OC(C)(C)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
473.22g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.569g/mol
Monoisotopic Mass:
473.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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