methyl (2S)-3-phenyl-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[1-(2-thenoyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-27-21(26)17(14-15-6-3-2-4-7-15)22-19(24)16-9-11-23(12-10-16)20(25)18-8-5-13-28-18/h2-8,13,16-17H,9-12,14H2,1H3,(H,22,24)/t17-/m0/s1