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2-(N-Phenylamino)-3-(indol-3'-yl)propanoic Acid
SpectraBase Compound ID GdPV0U1XP0B
InChI InChI=1S/C17H16N2O2/c20-17(21)16(19-13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18-19H,10H2,(H,20,21)/t16-/m0/s1
InChIKey IFERMQAWBHARLN-INIZCTEOSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Boj018ptTn
Name 2-(N-Phenylamino)-3-(indol-3'-yl)propanoic Acid
Alternate Name(s) N-Phenyl-L-tryptophan (2S)-2-anilino-3-(1H-indol-3-yl)propanoic acid (2S)-3-(1H-indol-3-yl)-2-phenylazanyl-propanoic acid
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Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c20-17(21)16(19-13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18-19H,10H2,(H,20,21)/t16-/m0/s1
InChIKey IFERMQAWBHARLN-INIZCTEOSA-N
Molecular Weight 280.327 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)O)(Nc3ccccc3)[H])c1)cccc2
SPLASH splash10-0006-9840000000-2e1975c432c909f47b66
Source of Spectrum C-120-12465-9
Wiley ID 1699960