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Home > Fluorides > 148451-96-1
148451-96-1 | L-Tryptophan, N-acetyl-, [3,5-bis(trifluoromethyl)phenyl]methyl ester
CAS No: 148451-96-1 Catalog No: AG001KXP MDL No:
Product Description
Catalog Number:
AG001KXP
Chemical Name:
L-Tryptophan, N-acetyl-, [3,5-bis(trifluoromethyl)phenyl]methyl ester
CAS Number:
148451-96-1
Molecular Formula:
C22H18F6N2O3
Molecular Weight:
472.3803
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
InChI:
InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
InChI Key:
BYYQYXVAWXAYQC-IBGZPJMESA-N
SMILES:
CC(=O)NC(C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
472.122g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.387g/mol
Monoisotopic Mass:
472.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
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