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1260590-03-1 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-
CAS No: 1260590-03-1 Catalog No: AG000QUP MDL No:
Product Description
Catalog Number:
AG000QUP
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-
CAS Number:
1260590-03-1
Molecular Formula:
C21H24FNO5
Molecular Weight:
389.4174
IUPAC Name:
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
InChI:
InChI=1S/C22H21N3O4/c1-15-5-7-16(8-6-15)19-18(20(26)17-4-2-13-29-17)21(27)22(28)25(19)11-3-10-24-12-9-23-14-24/h2,4-9,12-14,19,27H,3,10-11H2,1H3
InChI Key:
HMYFLMAKQJRKMF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@H](C(=O)OCc1ccccc1)O)c1cccc(c1)F
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.153g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.427g/mol
Monoisotopic Mass:
391.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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