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Home > Fluorides > 198545-46-9
198545-46-9 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-fluoro-
CAS No: 198545-46-9 Catalog No: AG002BLY MDL No:MFCD00672553
Product Description
Catalog Number:
AG002BLY
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-fluoro-
CAS Number:
198545-46-9
Molecular Formula:
C24H20FNO4
Molecular Weight:
405.4183
MDL Number:
MFCD00672553
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
InChI:
InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChI Key:
ARHOAMSIDCQWEW-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccccc1F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.425g/mol
Monoisotopic Mass:
405.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Discovery of loperamide as an antagonist of angiopoietin1 and angiopoietin2 by virtual screening. | Bioorganic & medicinal chemistry letters 20120401 |
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