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112883-39-3 | Fmoc-D-Aspartic acid beta-tert-butyl ester
CAS No: 112883-39-3 Catalog No: AG0039BN MDL No:MFCD00077050
Product Description
Catalog Number:
AG0039BN
Chemical Name:
Fmoc-D-Aspartic acid beta-tert-butyl ester
CAS Number:
112883-39-3
Molecular Formula:
C23H25NO6
Molecular Weight:
411.4477
MDL Number:
MFCD00077050
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)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-/m1/s1
InChI Key:
FODJWPHPWBKDON-LJQANCHMSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CC(=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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