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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

View entire compound with spectra: 2 NMR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID h3sYTjs3fe
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 602.248429422 u
Formula C31H42N2O6S2
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
Molecular Weight 602.805 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCCC)C(CCCC(NC1=C(C=2CCCCCC2S1)C(=O)OCCC)=O)=O