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89537-16-6 | Phosphonic acid, (1-amino-3-phenylpropyl)-
CAS No: 89537-16-6 Catalog No: AG0040K4 MDL No:
Product Description
Catalog Number:
AG0040K4
Chemical Name:
Phosphonic acid, (1-amino-3-phenylpropyl)-
CAS Number:
89537-16-6
Molecular Formula:
C9H14NO3P
Molecular Weight:
215.1861
IUPAC Name:
(1-amino-3-phenylpropyl)phosphonic acid
InChI:
InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
InChI Key:
NAPHUBPIUWHFCT-UHFFFAOYSA-N
SMILES:
NC(P(=O)(O)O)CCc1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.189g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
Literature
| Title | Journal |
|---|---|
| Discovery of potent and selective inhibitors of human aminopeptidases ERAP1 and ERAP2 by screening libraries of phosphorus-containing amino acid and dipeptide analogues. | Bioorganic & medicinal chemistry letters 20160815 |
| New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13. | Bioorganic & medicinal chemistry 20100415 |
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