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Benzo[B]thiophene-3-carboxylic acid, 2-[[[[2-(benzoylamino)-4-methyl-1-oxopentyl]oxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 2 NMR

Benzo[B]thiophene-3-carboxylic acid, 2-[[[[2-(benzoylamino)-4-methyl-1-oxopentyl]oxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 4Yb4Dewullz
InChI InChI=1S/C26H32N2O6S/c1-4-33-26(32)22-18-12-8-9-13-20(18)35-24(22)28-21(29)15-34-25(31)19(14-16(2)3)27-23(30)17-10-6-5-7-11-17/h5-7,10-11,16,19H,4,8-9,12-15H2,1-3H3,(H,27,30)(H,28,29)
InChIKey KMKXPVSSGMAGFZ-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C26H32N2O6S
Exact Mass 500.198108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sl7i9f5wlh
Name Benzo[B]thiophene-3-carboxylic acid, 2-[[[[2-(benzoylamino)-4-methyl-1-oxopentyl]oxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.198107926 u
Formula C26H32N2O6S
InChI InChI=1S/C26H32N2O6S/c1-4-33-26(32)22-18-12-8-9-13-20(18)35-24(22)28-21(29)15-34-25(31)19(14-16(2)3)27-23(30)17-10-6-5-7-11-17/h5-7,10-11,16,19H,4,8-9,12-15H2,1-3H3,(H,27,30)(H,28,29)
InChIKey KMKXPVSSGMAGFZ-UHFFFAOYSA-N
Molecular Weight 500.610 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(COC(C(NC(=O)C1=CC=CC=C1)CC(C)C)=O)=O