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

Systemtic Name: 3-cyclopropyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclopropyl-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-cyclopropyl-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclopropyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-cyclopropyl-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NC(CC(=O)O)C3CC3

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NC(CC(=O)O)C3CC3

InChI

InChI=1S/C20H31N3O4/c24-18(6-3-14-7-9-21-10-8-14)23-11-1-2-16(13-23)20(27)22-17(12-19(25)26)15-4-5-15/h3,6,14-17,21H,1-2,4-5,7-13H2,(H,22,27)(H,25,26)/b6-3+