Home Carbonyls (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[3-(trifluoromethyl)phenyl]butanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[3-(trifluoromethyl)phenyl]butanoic acid

CAS No.:
270065-78-6
Catalog Number:
AG003QMJ
Molecular Formula:
C26H22F3NO4
Molecular Weight:
469.4524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 99% (HPLC)
1 week
United States
$140
- +
100mg
≥ 99% (HPLC)
1 week
United States
$235
- +
250mg
≥ 99% (HPLC)
1 week
United States
$425
- +
Product Description
Catalog Number:
AG003QMJ
Chemical Name:
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[3-(trifluoromethyl)phenyl]butanoic acid
CAS Number:
270065-78-6
Molecular Formula:
C26H22F3NO4
Molecular Weight:
469.4524
MDL Number:
MFCD01861068
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-(trifluoromethyl)phenyl]butanoic acid
InChI:
InChI=1S/C26H22F3NO4/c27-26(28,29)17-7-5-6-16(12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m0/s1
InChI Key:
SHSVTUCIAQWRSI-SFHVURJKSA-N
SMILES:
OC(=O)C[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
693  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
469.15g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
469.46g/mol
Monoisotopic Mass:
469.15g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties