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

Systemtic Name: 2-(hydroxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(hydroxymethyl)-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(hydroxymethyl)-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(hydroxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-methylol-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C18H29N3O5 MolecularWeight: 367.43996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NCC(CO)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NCC(CO)C(=O)O

InChI

InChI=1S/C18H29N3O5/c22-12-15(18(25)26)10-20-17(24)14-2-1-9-21(11-14)16(23)4-3-13-5-7-19-8-6-13/h3-4,13-15,19,22H,1-2,5-12H2,(H,20,24)(H,25,26)/b4-3+