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(2R)-2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-mercaptopropanoic acid methyl ester
SpectraBase Compound ID 1xIr5xrdMjl
InChI InChI=1S/C14H14N2O4S/c1-20-14(19)11(7-21)16-13(18)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-6,11,15,21H,7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKey ZPQSYXIAEMRERD-NSHDSACASA-N
Mol Weight 306.34 g/mol
Molecular Formula C14H14N2O4S
Exact Mass 306.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ub3uwRcba1
Name (2R)-2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-mercaptopropanoic acid methyl ester
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Formula C14H14N2O4S
InChI InChI=1S/C14H14N2O4S/c1-20-14(19)11(7-21)16-13(18)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-6,11,15,21H,7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKey ZPQSYXIAEMRERD-NSHDSACASA-N
Molecular Weight 306.336 g/mol
SMILES N(C(C(c1c[nH]c2c1cccc2)=O)=O)[C@@](CS)(C(=O)OC)[H]
SPLASH splash10-054o-9300000000-f561b820fb6bb3f746c5
Source of Spectrum O1-60-1222-5
Synonyms (2R)-2-[[2-(1H-indol-3-yl)-2-keto-acetyl]amino]-3-mercapto-propionic acid methyl ester Methyl (2R)-2-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-sulfanyl-propanoate Methyl (2R)-2-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]-3-sulfanyl-propanoate
Wiley ID 1592103