Name: Name:(R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
Brand: Angene
SKU: AG003OEO
Rating: 90 (10 reviews)

(R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid

CAS No.:

269726-74-1

Catalog Number:

AG003OEO

Molecular Formula:

C16H20F3NO4

Molecular Weight:

347.3295

Catalog Number:

AG003OEO

Chemical Name:

(R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid

CAS Number:

269726-74-1

Molecular Formula:

C16H20F3NO4

Molecular Weight:

347.3295

MDL Number:

MFCD01860969

IUPAC Name:

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[3-(trifluoromethyl)phenyl]butanoic acid

InChI:

InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-5-4-6-11(7-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1

InChI Key:

ATUJVGXTABSYTK-GFCCVEGCSA-N

SMILES:

OC(=O)C[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C

Complexity:

446

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

347.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

347.334g/mol

Monoisotopic Mass:

347.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3