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Home > Fluorides > 874336-39-7
874336-39-7 | N-Methyl-D-alanyl-4-fluoro-D-phenylalanine phenylmethyl ester hydrochloride
CAS No: 874336-39-7 Catalog No: AG01F4FK MDL No:
Product Description
Catalog Number:
AG01F4FK
Chemical Name:
N-Methyl-D-alanyl-4-fluoro-D-phenylalanine phenylmethyl ester hydrochloride
CAS Number:
874336-39-7
Molecular Formula:
C20H24ClFN2O3
Molecular Weight:
394.8676
IUPAC Name:
benzyl (2R)-3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoate;hydrochloride
InChI:
InChI=1S/C20H23FN2O3.ClH/c1-14(22-2)19(24)23-18(12-15-8-10-17(21)11-9-15)20(25)26-13-16-6-4-3-5-7-16;/h3-11,14,18,22H,12-13H2,1-2H3,(H,23,24);1H/t14-,18+;/m0./s1
InChI Key:
RRURIYQUSGSYAX-QLOBERJESA-N
SMILES:
CN[C@H](C(=O)N[C@@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)F)C.Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
394.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
394.871g/mol
Monoisotopic Mass:
394.146g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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