Name: Name:3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Brand: Angene
SKU: AG01EKIC
Rating: 90 (10 reviews)

3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS No.:

320727-89-7

Catalog Number:

AG01EKIC

Molecular Formula:

C25H20F3NO5

Molecular Weight:

471.4252

Catalog Number:

AG01EKIC

Chemical Name:

3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS Number:

320727-89-7

Molecular Formula:

C25H20F3NO5

Molecular Weight:

471.4252

MDL Number:

MFCD31421852

IUPAC Name:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid

InChI:

InChI=1S/C25H20F3NO5/c26-25(27,28)34-16-11-9-15(10-12-16)22(13-23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)

InChI Key:

BQTSAOSBQOAEAK-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1ccc(cc1)OC(F)(F)F)NC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

687

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

471.129g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

471.432g/mol

Monoisotopic Mass:

471.129g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3