methyl (3S)-3-(5-ethynylpyridin-3-yl)-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(5-ethynylpyridin-3-yl)-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-(5-ethynyl-3-pyridyl)-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-(5-ethynyl-3-pyridinyl)-3-[[oxo-[(3R)-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(5-ethynylpyridin-3-yl)-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-(5-ethynyl-3-pyridyl)-3-[[(3R)-nipecotoyl]amino]propionic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC(=C1)C#C)NC(=O)C2CCCNC2

Isomeric SMILES

COC(=O)C[C@@H](C1=CN=CC(=C1)C#C)NC(=O)[C@@H]2CCCNC2

InChI

InChI=1S/C17H21N3O3/c1-3-12-7-14(11-19-9-12)15(8-16(21)23-2)20-17(22)13-5-4-6-18-10-13/h1,7,9,11,13,15,18H,4-6,8,10H2,2H3,(H,20,22)/t13-,15+/m1/s1