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Methyl N-(4-benzoyl-4-ethoxycarbonylbutylidene)tryptophanate
SpectraBase Compound ID FolYWZgS42z
InChI InChI=1S/C26H28N2O5/c1-3-33-25(30)21(24(29)18-10-5-4-6-11-18)13-9-15-27-23(26(31)32-2)16-19-17-28-22-14-8-7-12-20(19)22/h4-8,10-12,14-15,17,21,23,28H,3,9,13,16H2,1-2H3/b27-15+/t21?,23-/m0/s1
InChIKey MFDXQRNZROUBGN-GIILFCRESA-N
Mol Weight 448.52 g/mol
Molecular Formula C26H28N2O5
Exact Mass 448.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EyuaFv9xMQ
Name Methyl N-(4-benzoyl-4-ethoxycarbonylbutylidene)tryptophanate
Alternate Name(s) 2-Benzoyl-5-[(E)-(S)-2-(1H-indol-3-yl)-1-methoxycarbonyl-ethylimino]-pentanoic acid ethyl ester Ethyl (5E)-2-benzoyl-5-{[(E,1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl]imino}pentanoate Methyl N-(4-benzyl-4-ethoxycarbonylbutylidene)tryptophanate
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Formula C26H28N2O5
InChI InChI=1S/C26H28N2O5/c1-3-33-25(30)21(24(29)18-10-5-4-6-11-18)13-9-15-27-23(26(31)32-2)16-19-17-28-22-14-8-7-12-20(19)22/h4-8,10-12,14-15,17,21,23,28H,3,9,13,16H2,1-2H3/b27-15+/t21?,23-/m0/s1
InChIKey MFDXQRNZROUBGN-GIILFCRESA-N
Molecular Weight 448.519 g/mol
SMILES [nH]1c2c(c(c1)C[C@@](C(=O)OC)(\N=C\CCC(C(=O)c1ccccc1)C(=O)OCC)[H])cccc2
SPLASH splash10-001i-1900000000-0e87487cc978a8821ef1
Source of Spectrum F-55-8135-13
Wiley ID 838438