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L-Tryptophan, 5-hydroxy-N-[(methylamino)carbonyl]-
SpectraBase Compound ID 9GrxsXDXUZb
InChI InChI=1S/C13H15N3O4/c1-14-13(20)16-11(12(18)19)4-7-6-15-10-3-2-8(17)5-9(7)10/h2-3,5-6,11,15,17H,4H2,1H3,(H,18,19)(H2,14,16,20)/t11-/m0/s1
InChIKey GSHSDZSEUDPCFC-NSHDSACASA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoiipEJY7Rh
Name L-Tryptophan, 5-hydroxy-N-[(methylamino)carbonyl]-
CAS Registry Number 116246-43-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-14-13(20)16-11(12(18)19)4-7-6-15-10-3-2-8(17)5-9(7)10/h2-3,5-6,11,15,17H,4H2,1H3,(H,18,19)(H2,14,16,20)/t11-/m0/s1
InChIKey GSHSDZSEUDPCFC-NSHDSACASA-N
Molecular Weight 277.280 g/mol
SMILES Oc1ccc2c(c(C[C@@](C(=O)O)(NC(=O)NC)[H])c[nH]2)c1
SPLASH splash10-0002-0930000000-bb5fc2893d7ed19b8453
Source of Spectrum Y-24-1726-7
Synonyms (2S)-2-(methylcarbamoylamino)-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(methylcarbamoylamino)propanoic acid (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(methylcarbamoylamino)propionic acid
Wiley ID 1280875