1-[2-(octylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(octylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(octylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(octylsulfonylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(octylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(octylsulfonylamino)-3-phenyl-propanoyl]proline Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H34N2O5S/c1-2-3-4-5-6-10-16-30(28,29)23-19(17-18-12-8-7-9-13-18)21(25)24-15-11-14-20(24)22(26)27/h7-9,12-13,19-20,23H,2-6,10-11,14-17H2,1H3,(H,26,27)