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(2S), (3S,R)-2-(2-tert-Butoxycarbonylamino-3-fluoropent-4-enoylamino)-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID HMqrGZ6L0yO
InChI InChI=1S/C20H27FN2O5/c1-6-14(21)16(23-19(26)28-20(2,3)4)17(24)22-15(18(25)27-5)12-13-10-8-7-9-11-13/h6-11,14-16H,1,12H2,2-5H3,(H,22,24)(H,23,26)/t14?,15?,16-/m1/s1
InChIKey SQLBYBKCBFAXFF-UYSNPLJNSA-N
Mol Weight 394.44 g/mol
Molecular Formula C20H27FN2O5
Exact Mass 394.1904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LZc7CPE2m2
Name (2S), (3S,R)-2-(2-tert-Butoxycarbonylamino-3-fluoropent-4-enoylamino)-3-phenyl-propionic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H27FN2O5
InChI InChI=1S/C20H27FN2O5/c1-6-14(21)16(23-19(26)28-20(2,3)4)17(24)22-15(18(25)27-5)12-13-10-8-7-9-11-13/h6-11,14-16H,1,12H2,2-5H3,(H,22,24)(H,23,26)/t14?,15?,16-/m1/s1
InChIKey SQLBYBKCBFAXFF-UYSNPLJNSA-N
Molecular Weight 394.443 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](C(NC(C(=O)OC)Cc1ccccc1)=O)(C(C=C)F)[H]
SPLASH splash10-0a4i-9000000000-51daec3c56849bdd22c9
Source of Spectrum QC-19-2886-11
Wiley ID 1688003