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

Systemtic Name: 2-azanyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c18-14(17(24)25)10-20-16(23)13-2-1-9-21(11-13)15(22)4-3-12-5-7-19-8-6-12/h3-4,12-14,19H,1-2,5-11,18H2,(H,20,23)(H,24,25)/b4-3+