Home Carbonyls 3-(3,5-dimethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

3-(3,5-dimethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS No.:
1379834-21-5
Catalog Number:
AG01EKFY
Molecular Formula:
C26H25NO6
Molecular Weight:
447.4798
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Product Description
Catalog Number:
AG01EKFY
Chemical Name:
3-(3,5-dimethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
CAS Number:
1379834-21-5
Molecular Formula:
C26H25NO6
Molecular Weight:
447.4798
MDL Number:
MFCD09918161
IUPAC Name:
3-(3,5-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C26H25NO6/c1-31-17-11-16(12-18(14-17)32-2)13-24(25(28)29)27-26(30)33-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-12,14,23-24H,13,15H2,1-2H3,(H,27,30)(H,28,29)
InChI Key:
HWHGHGFWIGKMJY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
637  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.168g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
447.487g/mol
Monoisotopic Mass:
447.168g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties