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270065-74-2 | (S)-3-((tert-Butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid
CAS No: 270065-74-2 Catalog No: AG0034JJ MDL No:MFCD01861064
Product Description
Catalog Number:
AG0034JJ
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid
CAS Number:
270065-74-2
Molecular Formula:
C16H20F3NO4
Molecular Weight:
347.3295
MDL Number:
MFCD01861064
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]butanoic acid
InChI:
InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-11(9-13(21)22)8-10-6-4-5-7-12(10)16(17,18)19/h4-7,11H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChI Key:
YQJFIZXCXGBMPB-NSHDSACASA-N
SMILES:
OC(=O)C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.334g/mol
Monoisotopic Mass:
347.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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