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Home > Fluorides > 117014-32-1
117014-32-1 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(9H-fluoren-9-ylmethyl) ester
CAS No: 117014-32-1 Catalog No: AG000DJM MDL No:MFCD00076916
Product Description
Catalog Number:
AG000DJM
Chemical Name:
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(9H-fluoren-9-ylmethyl) ester
CAS Number:
117014-32-1
Molecular Formula:
C23H24NO6-
Molecular Weight:
410.4398
MDL Number:
MFCD00076916
IUPAC Name:
(2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C23H25NO6/c1-23(2,3)30-22(28)24-19(21(26)27)12-20(25)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChI Key:
NHLRMCFWGFPSLT-IBGZPJMESA-N
SMILES:
O=C(C[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
411.168g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.454g/mol
Monoisotopic Mass:
411.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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