3-phenyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-phenyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-19(21-18(20(24)25)14-15-6-2-1-3-7-15)16-8-10-17(11-9-16)28(26,27)22-12-4-5-13-22/h1-3,6-11,18H,4-5,12-14H2,(H,21,23)(H,24,25)