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162558-25-0 | L-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 162558-25-0 Catalog No: AG001T8K MDL No:MFCD00235896
Product Description
Catalog Number:
AG001T8K
Chemical Name:
L-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
162558-25-0
Molecular Formula:
C23H26N2O6
Molecular Weight:
426.4623
MDL Number:
MFCD00235896
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m0/s1
InChI Key:
PKAUMAVONPSDRW-IBGZPJMESA-N
SMILES:
O=C(N[C@H](C(=O)O)CNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
426.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
426.469g/mol
Monoisotopic Mass:
426.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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