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Home > Fluorides > 192448-05-8
192448-05-8 | L-Phenylalanine, N-acetyl-L-phenylalanyl-3-(trifluoromethyl)- (9CI)
CAS No: 192448-05-8 Catalog No: AG002FZA MDL No:
Product Description
Catalog Number:
AG002FZA
Chemical Name:
L-Phenylalanine, N-acetyl-L-phenylalanyl-3-(trifluoromethyl)- (9CI)
CAS Number:
192448-05-8
Molecular Formula:
C21H21F3N2O4
Molecular Weight:
422.3976
IUPAC Name:
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C21H21F3N2O4/c1-13(27)25-17(11-14-6-3-2-4-7-14)19(28)26-18(20(29)30)12-15-8-5-9-16(10-15)21(22,23)24/h2-10,17-18H,11-12H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18-/m0/s1
InChI Key:
FMEOLSRCAASXQL-ROUUACIJSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1cccc(c1)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
422.145g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.404g/mol
Monoisotopic Mass:
422.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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