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Methyl N-[3-(1'-benzyl-3'-methoxycarbonyl-4'-oxopiperidin-3-yl)propylidene]tryptophanate
SpectraBase Compound ID JKd4FmU3FPK
InChI InChI=1S/C29H33N3O5/c1-36-27(34)26(15-22-17-31-25-12-7-6-11-24(22)25)30-14-8-13-29(28(35)37-2)16-23(33)19-32(20-29)18-21-9-4-3-5-10-21/h3-7,9-12,14,17,26,31H,8,13,15-16,18-20H2,1-2H3/b30-14+
InChIKey HQKNSVCXMVJEPN-AMVVHIIESA-N
Mol Weight 503.6 g/mol
Molecular Formula C29H33N3O5
Exact Mass 503.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bqk3OstCwb
Name Methyl N-[3-(1'-benzyl-3'-methoxycarbonyl-4'-oxopiperidin-3-yl)propylidene]tryptophanate
Alternate Name(s) Methyl 1-benzyl-3-((3E)-3-{[(E)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl]imino}propyl)-5-oxo-3-piperidinecarboxylate Methyl N-[3-(1'-benzyl-3'-methoxycarbonyl-4'-oxopiperidyl)propylidene]tryptophanate
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Formula C29H33N3O5
InChI InChI=1S/C29H33N3O5/c1-36-27(34)26(15-22-17-31-25-12-7-6-11-24(22)25)30-14-8-13-29(28(35)37-2)16-23(33)19-32(20-29)18-21-9-4-3-5-10-21/h3-7,9-12,14,17,26,31H,8,13,15-16,18-20H2,1-2H3/b30-14+
InChIKey HQKNSVCXMVJEPN-AMVVHIIESA-N
Molecular Weight 503.599 g/mol
SMILES [nH]1c2c(c(c1)CC(C(=O)OC)\N=C\CCC1(C(=O)OC)CN(Cc3ccccc3)CC(C1)=O)cccc2
SPLASH splash10-001l-9804000000-03cf8af5287c70b791e0
Source of Spectrum F-55-8135-2
Wiley ID 838439