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Home > Fluorides > 164583-06-6
164583-06-6 | L-Phenylalaninamide, D-leucyl-N-[(4-fluorophenyl)methyl]- (9CI)
CAS No: 164583-06-6 Catalog No: AG001UY7 MDL No:
Product Description
Catalog Number:
AG001UY7
Chemical Name:
L-Phenylalaninamide, D-leucyl-N-[(4-fluorophenyl)methyl]- (9CI)
CAS Number:
164583-06-6
Molecular Formula:
C22H28FN3O2
Molecular Weight:
385.4750
IUPAC Name:
(2R)-2-amino-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
InChI:
InChI=1S/C22H28FN3O2/c1-15(2)12-19(24)21(27)26-20(13-16-6-4-3-5-7-16)22(28)25-14-17-8-10-18(23)11-9-17/h3-11,15,19-20H,12-14,24H2,1-2H3,(H,25,28)(H,26,27)/t19-,20+/m1/s1
InChI Key:
BCQKEAUFNXECKN-UXHICEINSA-N
SMILES:
CC(C[C@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)F)Cc1ccccc1)N)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
385.217g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
385.483g/mol
Monoisotopic Mass:
385.217g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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