Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-4-phenylbutanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-4-phenylbutanoic acid

CAS No.:
1693866-72-6
Catalog Number:
AG01EKCC
Molecular Formula:
C26H25NO4
Molecular Weight:
415.4810
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Product Description
Catalog Number:
AG01EKCC
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-4-phenylbutanoic acid
CAS Number:
1693866-72-6
Molecular Formula:
C26H25NO4
Molecular Weight:
415.4810
MDL Number:
MFCD28389321
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-phenylbutanoic acid
InChI:
InChI=1S/C26H25NO4/c1-26(24(28)29,16-15-18-9-3-2-4-10-18)27-25(30)31-17-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,23H,15-17H2,1H3,(H,27,30)(H,28,29)
InChI Key:
PGQQMJOGEHZTQM-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)(CCc1ccccc1)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.178g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
415.489g/mol
Monoisotopic Mass:
415.178g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties