methyl (2R)-3-(1H-indol-3-yl)-2-[(5-piperidin-1-ylsulfonylfuran-2-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(5-piperidin-1-ylsulfonylfuran-2-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[5-(1-piperidylsulfonyl)furan-2-carbonyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[5-(1-piperidinylsulfonyl)-2-furanyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(5-piperidinosulfonyl-2-furoyl)amino]propionic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O6S/c1-30-22(27)18(13-15-14-23-17-8-4-3-7-16(15)17)24-21(26)19-9-10-20(31-19)32(28,29)25-11-5-2-6-12-25/h3-4,7-10,14,18,23H,2,5-6,11-13H2,1H3,(H,24,26)/t18-/m1/s1