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75466-70-5 | L-Phenylalanine, N-[[(4-fluorophenyl)methoxy]carbonyl]-
CAS No: 75466-70-5 Catalog No: AG005BGG MDL No:
Product Description
Catalog Number:
AG005BGG
Chemical Name:
L-Phenylalanine, N-[[(4-fluorophenyl)methoxy]carbonyl]-
CAS Number:
75466-70-5
Molecular Formula:
C17H16FNO4
Molecular Weight:
317.3116
IUPAC Name:
(2S)-2-[(4-fluorophenyl)methoxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C17H16FNO4/c18-14-8-6-13(7-9-14)11-23-17(22)19-15(16(20)21)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
InChI Key:
ZJEZBEPQBFVQPO-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)OCc1ccc(cc1)F
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.316g/mol
Monoisotopic Mass:
317.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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