3-[[1-(2-acetamido-3-piperidin-4-yl-propanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(2-acetamido-3-piperidin-4-yl-propanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[2-acetamido-3-(4-piperidyl)propanoyl]-4-phenyl-piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[2-acetamido-1-oxo-3-(4-piperidinyl)propyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(2-acetamido-3-piperidin-4-ylpropanoyl)-4-phenylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[2-acetamido-3-(4-piperidyl)propanoyl]-4-phenyl-isonipecotoyl]amino]propionic acid Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1CCNCC1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC(=O)NC(CC1CCNCC1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C25H36N4O5/c1-18(30)28-21(17-19-7-12-26-13-8-19)23(33)29-15-10-25(11-16-29,20-5-3-2-4-6-20)24(34)27-14-9-22(31)32/h2-6,19,21,26H,7-17H2,1H3,(H,27,34)(H,28,30)(H,31,32)