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

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

CAS No.:
683219-94-5
Catalog Number:
AG01EKC0
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
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Product Description
Catalog Number:
AG01EKC0
Chemical Name:
4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid
CAS Number:
683219-94-5
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
MDL Number:
MFCD03412511
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
InChI:
InChI=1S/C25H23NO4/c27-24(28)15-14-23(17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)
InChI Key:
GVVBQAUUPFWYCV-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.163g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
401.462g/mol
Monoisotopic Mass:
401.163g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties