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(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(phenylcarbonyl)phenyl]propanoic acid
SpectraBase Compound ID BSSApQKStJe
InChI InChI=1S/C31H25NO5/c33-29(21-10-2-1-3-11-21)22-12-8-9-20(17-22)18-28(30(34)35)32-31(36)37-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1
InChIKey WVKFDEZVOQDXFB-NDEPHWFRSA-N
Mol Weight 491.54 g/mol
Molecular Formula C31H25NO5
Exact Mass 491.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEQNgj9YHFP
Name (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(phenylcarbonyl)phenyl]propanoic acid
Alternate Name(s) (2S)-3-(3-benzoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid (2S)-3-(3-benzoylphenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid
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Formula C31H25NO5
InChI InChI=1S/C31H25NO5/c33-29(21-10-2-1-3-11-21)22-12-8-9-20(17-22)18-28(30(34)35)32-31(36)37-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1
InChIKey WVKFDEZVOQDXFB-NDEPHWFRSA-N
Molecular Weight 491.543 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(=O)O)(Cc1cc(C(=O)c2ccccc2)ccc1)[H]
SPLASH splash10-004i-0900000000-4ea140275696b085d600
Source of Spectrum K-2001-1882-11
Wiley ID 1579417