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2-thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, (2R,3R,4S)-

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2-thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, (2R,3R,4S)-
SpectraBase Compound ID LMnlMaMB4fJ
InChI InChI=1S/C23H26N2O4S/c26-20(27)14-8-7-13-19-21(25-23(29)17-11-5-2-6-12-17)18(15-30-19)24-22(28)16-9-3-1-4-10-16/h1-6,9-12,18-19,21H,7-8,13-15H2,(H,24,28)(H,25,29)(H,26,27)
InChIKey DOBCSAZFJKTPFM-UHFFFAOYSA-N
Mol Weight 426.53 g/mol
Molecular Formula C23H26N2O4S
Exact Mass 426.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L41pf9CH8jj
Name 2-Thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, (2R,3R,4S)-
Comments Computed using HOSE algorithm
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Exact Mass 426.161328495 u
Formula C23H26N2O4S
InChI InChI=1S/C23H26N2O4S/c26-20(27)14-8-7-13-19-21(25-23(29)17-11-5-2-6-12-17)18(15-30-19)24-22(28)16-9-3-1-4-10-16/h1-6,9-12,18-19,21H,7-8,13-15H2,(H,24,28)(H,25,29)(H,26,27)
InChIKey DOBCSAZFJKTPFM-UHFFFAOYSA-N
Molecular Weight 426.531 g/mol
SMILES N(C1C(C(CCCCC(O)=O)SC1)NC(=O)C=1C=CC=CC1)C(=O)C=1C=CC=CC1