3-phenyl-2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-phenyl-2-[[1-(2-thienylsulfonyl)prolyl]amino]propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(19-14(18(22)23)12-13-6-2-1-3-7-13)15-8-4-10-20(15)27(24,25)16-9-5-11-26-16/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H,19,21)(H,22,23)