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Home > Pyridines > 139522-04-6
139522-04-6 | L-Phenylalanine, N-[1-oxo-3-(3-pyridinyl)propyl]-
CAS No: 139522-04-6 Catalog No: AG001B6M MDL No:
Product Description
Catalog Number:
AG001B6M
Chemical Name:
L-Phenylalanine, N-[1-oxo-3-(3-pyridinyl)propyl]-
CAS Number:
139522-04-6
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
IUPAC Name:
3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanoic acid
InChI:
InChI=1S/C17H18N2O3/c20-16(9-8-14-7-4-10-18-12-14)19-15(17(21)22)11-13-5-2-1-3-6-13/h1-7,10,12,15H,8-9,11H2,(H,19,20)(H,21,22)
InChI Key:
KTYJSGFOKJRZID-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)CCc1cccnc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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