2-(methoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(methoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(methoxymethyl)-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(methoxymethyl)-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(methoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(methoxymethyl)-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C19H31N3O5 MolecularWeight: 381.46654

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2)C(=O)O

Isomeric SMILES

COCC(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2)C(=O)O

InChI

InChI=1S/C19H31N3O5/c1-27-13-16(19(25)26)11-21-18(24)15-3-2-10-22(12-15)17(23)5-4-14-6-8-20-9-7-14/h4-5,14-16,20H,2-3,6-13H2,1H3,(H,21,24)(H,25,26)/b5-4+