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177609-12-0

177609-12-0 | D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(2-propen-1-yl) ester

CAS No: 177609-12-0 Catalog No: AG0025EI MDL No:MFCD01074688

Product Description

Catalog Number:
AG0025EI
Chemical Name:
D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(2-propen-1-yl) ester
CAS Number:
177609-12-0
Molecular Formula:
C22H20NO6-
Molecular Weight:
394.3973
MDL Number:
MFCD01074688
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoic acid
InChI:
InChI=1S/C22H21NO6/c1-2-11-28-20(24)12-19(21(25)26)23-22(27)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,25,26)/t19-/m1/s1
InChI Key:
FBNFRRNBFASDKS-LJQANCHMSA-N
SMILES:
C=CCOC(=O)C[C@H](C(=O)[O-])NC(=O)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
395.137g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
395.411g/mol
Monoisotopic Mass:
395.137g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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