Home Carbonyls 3-(1-benzofuran-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

3-(1-benzofuran-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

CAS No.:
1379879-95-4
Catalog Number:
AG01EKFO
Molecular Formula:
C26H21NO5
Molecular Weight:
427.4486
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Product Description
Catalog Number:
AG01EKFO
Chemical Name:
3-(1-benzofuran-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CAS Number:
1379879-95-4
Molecular Formula:
C26H21NO5
Molecular Weight:
427.4486
MDL Number:
MFCD09918208
IUPAC Name:
3-(1-benzofuran-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C26H21NO5/c28-25(29)23(14-17-13-16-7-1-6-12-24(16)32-17)27-26(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-13,22-23H,14-15H2,(H,27,30)(H,28,29)
InChI Key:
MLDUOSGHPGZBDO-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1cc2c(o1)cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
661  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.142g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
427.456g/mol
Monoisotopic Mass:
427.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties