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3-Pyrrol[6-(2-methoxycarbonyl-ethylcarbamoyl)-pyridine-2-carbonyl]-aminomorpho-propionic acid, methyl ester
SpectraBase Compound ID EGnj754pAnt
InChI InChI=1S/C15H19N3O6/c1-23-12(19)6-8-16-14(21)10-4-3-5-11(18-10)15(22)17-9-7-13(20)24-2/h3-5H,6-9H2,1-2H3,(H,16,21)(H,17,22)
InChIKey WCGOTNOAMNISQN-UHFFFAOYSA-N
Mol Weight 337.33 g/mol
Molecular Formula C15H19N3O6
Exact Mass 337.127385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yzslej2UmI
Name 3-Pyrrol[6-(2-methoxycarbonyl-ethylcarbamoyl)-pyridine-2-carbonyl]-aminomorpho-propionic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.127385338 u
Formula C15H19N3O6
InChI InChI=1S/C15H19N3O6/c1-23-12(19)6-8-16-14(21)10-4-3-5-11(18-10)15(22)17-9-7-13(20)24-2/h3-5H,6-9H2,1-2H3,(H,16,21)(H,17,22)
InChIKey WCGOTNOAMNISQN-UHFFFAOYSA-N
Molecular Weight 337.332 g/mol
SMILES C1(=NC(=CC=C1)C(=O)NCCC(=O)OC)C(=O)NCCC(=O)OC