methyl 3-oxidanyl-2-[[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]piperidine-4-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-[4-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-[[5-(2-phenylethynyl)-2-furoyl]amino]isonipecotoyl]amino]propionic acid methyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O6/c1-31-21(29)18(15-27)25-22(30)23(11-13-24-14-12-23)26-20(28)19-10-9-17(32-19)8-7-16-5-3-2-4-6-16/h2-6,9-10,18,24,27H,11-15H2,1H3,(H,25,30)(H,26,28)