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75743-21-4 | L-Leucine,N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, 3-methylbutyl ester
CAS No: 75743-21-4 Catalog No: AG005IQO MDL No:
Product Description
Catalog Number:
AG005IQO
Chemical Name:
L-Leucine,N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, 3-methylbutyl ester
CAS Number:
75743-21-4
Molecular Formula:
C15H22F7NO3
Molecular Weight:
397.3289
IUPAC Name:
3-methylbutyl (2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylpentanoate
InChI:
InChI=1S/C15H22F7NO3/c1-8(2)5-6-26-11(24)10(7-9(3)4)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)/t10-/m0/s1
InChI Key:
YTDBLVMETUJUBE-JTQLQIEISA-N
SMILES:
CC(C[C@@H](C(=O)OCCC(C)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
397.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.334g/mol
Monoisotopic Mass:
397.149g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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