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4-([1-(1H-Indol-3-ylmethyl)-2-methoxy-2-oxoethyl]amino)-4-oxobutanoic acid
SpectraBase Compound ID DWrjhwDLXJu
InChI InChI=1S/C16H18N2O5/c1-23-16(22)13(18-14(19)6-7-15(20)21)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKey XKRGDQZXROQLHY-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MM7tx1oWYl
Name 4-([1-(1H-Indol-3-ylmethyl)-2-methoxy-2-oxoethyl]amino)-4-oxobutanoic acid
Alternate Name(s) Tryptophan, N-[3-carboxypropionyl]-, methyl ester 4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid 4-[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid 4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
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Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-23-16(22)13(18-14(19)6-7-15(20)21)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKey XKRGDQZXROQLHY-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES [nH]1c2c(c(CC(NC(CCC(O)=O)=O)C(OC)=O)c1)cccc2
SPLASH splash10-001i-2910000000-9fd05f6caf4d9e397a95
Source of Spectrum NP-11-1067-0
Wiley ID 1109385