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2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID CscQEPNSVN0
InChI InChI=1S/C24H25N5O3S2/c1-3-29-19-12-8-7-11-17(19)21-22(29)26-24(28-27-21)34-15-20(30)25-18(23(31)32-2)14-33-13-16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,25,30)
InChIKey JPMLGWUIMMQKHJ-UHFFFAOYSA-N
Mol Weight 495.62 g/mol
Molecular Formula C24H25N5O3S2
Exact Mass 495.139882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDNbXUA1ssN
Name 2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Alternate Name(s) 3-(benzylthio)-2-[[2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]propionic acid methyl ester Methyl 2-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 3-benzylsulfanyl-2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]propanoate
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Formula C24H25N5O3S2
InChI InChI=1S/C24H25N5O3S2/c1-3-29-19-12-8-7-11-17(19)21-22(29)26-24(28-27-21)34-15-20(30)25-18(23(31)32-2)14-33-13-16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,25,30)
InChIKey JPMLGWUIMMQKHJ-UHFFFAOYSA-N
Molecular Weight 495.616 g/mol
SMILES N(C(CSc1nnc2c(n1)[n](c1c2cccc1)CC)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-006x-9770000000-8d29b643f1b868d76ef0
Wiley ID 1512256