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

Systemtic Name: 2-[(1-phenethylsulfonylpyrrolidin-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-phenethylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-(1-phenethylsulfonyl-2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-phenethylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-phenethylsulfonylprolyl)amino]-3-phenyl-propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O5S/c25-21(23-19(22(26)27)16-18-10-5-2-6-11-18)20-12-7-14-24(20)30(28,29)15-13-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,26,27)