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86060-89-1 | Fmoc-Ile-OPfp
CAS No: 86060-89-1 Catalog No: AG003QNG MDL No:MFCD00077063
Product Description
Catalog Number:
AG003QNG
Chemical Name:
Fmoc-Ile-OPfp
CAS Number:
86060-89-1
Molecular Formula:
C27H22F5NO4
Molecular Weight:
519.4599
MDL Number:
MFCD00077063
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
InChI:
InChI=1S/C27H22F5NO4/c1-3-13(2)24(26(34)37-25-22(31)20(29)19(28)21(30)23(25)32)33-27(35)36-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18,24H,3,12H2,1-2H3,(H,33,35)/t13-,24-/m0/s1
InChI Key:
FYZSBHSHLNJGPS-RZFZLAGVSA-N
SMILES:
CCC(C(C(=O)Oc1c(F)c(F)c(c(c1F)F)F)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
519.147g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
519.468g/mol
Monoisotopic Mass:
519.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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