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

Systemtic Name: 2-acetamido-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-acetamido-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-acetamido-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-acetamido-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-acetamido-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C19H30N4O5 MolecularWeight: 394.4653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2)C(=O)O

Isomeric SMILES

CC(=O)NC(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2)C(=O)O

InChI

InChI=1S/C19H30N4O5/c1-13(24)22-16(19(27)28)11-21-18(26)15-3-2-10-23(12-15)17(25)5-4-14-6-8-20-9-7-14/h4-5,14-16,20H,2-3,6-12H2,1H3,(H,21,26)(H,22,24)(H,27,28)/b5-4+