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4-Pyrrol[6-(3-methoxycarbonyl-propylcarbamoyl)-pyridine-2-carbonyl]-aminomorpho-butyric acid, methyl ester
SpectraBase Compound ID LPtKavbJrof
InChI InChI=1S/C17H23N3O6/c1-25-14(21)8-4-10-18-16(23)12-6-3-7-13(20-12)17(24)19-11-5-9-15(22)26-2/h3,6-7H,4-5,8-11H2,1-2H3,(H,18,23)(H,19,24)
InChIKey JWCLIKXJXJPGDK-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C17H23N3O6
Exact Mass 365.158685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DW1fCMIvXQ
Name 4-Pyrrol[6-(3-methoxycarbonyl-propylcarbamoyl)-pyridine-2-carbonyl]-aminomorpho-butyric acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.158685467 u
Formula C17H23N3O6
InChI InChI=1S/C17H23N3O6/c1-25-14(21)8-4-10-18-16(23)12-6-3-7-13(20-12)17(24)19-11-5-9-15(22)26-2/h3,6-7H,4-5,8-11H2,1-2H3,(H,18,23)(H,19,24)
InChIKey JWCLIKXJXJPGDK-UHFFFAOYSA-N
Molecular Weight 365.386 g/mol
SMILES C1(=NC(=CC=C1)C(=O)NCCCC(=O)OC)C(=O)NCCCC(=O)OC