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propyl 2-[(5-oxo-5-{[3-(propoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}pentanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID mV6tynQbbC
InChI InChI=1S/C31H42N2O6S2/c1-3-18-38-30(36)26-20-12-7-5-9-14-22(20)40-28(26)32-24(34)16-11-17-25(35)33-29-27(31(37)39-19-4-2)21-13-8-6-10-15-23(21)41-29/h3-19H2,1-2H3,(H,32,34)(H,33,35)
InChIKey FEJGEEADIIWSQK-UHFFFAOYSA-N
Mol Weight 602.8 g/mol
Molecular Formula C31H42N2O6S2
Exact Mass 602.248429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9MhA8HqcluH
Name propyl 2-[(5-oxo-5-{[3-(propoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}pentanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H42N2O6S2/c1-3-18-38-30(36)26-20-12-7-5-9-14-22(20)40-28(26)32-24(34)16-11-17-25(35)33-29-27(31(37)39-19-4-2)21-13-8-6-10-15-23(21)41-29/h3-19H2,1-2H3,(H,32,34)(H,33,35)
InChIKey FEJGEEADIIWSQK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7433
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8197124; UBI_ID: UBI-007436
Temperature 318 °C