Home Carbonyls (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid

CAS No.:
270596-52-6
Catalog Number:
AG00BCWW
Molecular Formula:
C25H22FNO4
Molecular Weight:
419.4449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
95%
In Stock USA
United States
$84
- +
1g
95%
In Stock USA
United States
$189
- +
Product Description
Catalog Number:
AG00BCWW
Chemical Name:
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid
CAS Number:
270596-52-6
Molecular Formula:
C25H22FNO4
Molecular Weight:
419.4449
MDL Number:
MFCD02094568
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid
InChI:
InChI=1S/C25H22FNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
InChI Key:
ZZCLRFMQVCVNGD-SFHVURJKSA-N
SMILES:
O=C(N[C@@H](Cc1cccc(c1)F)CC(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
419.153g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
419.452g/mol
Monoisotopic Mass:
419.153g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties