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

Systemtic Name: 1-[2-(hexadecylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(hexadecylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(hexadecylsulfonylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(hexadecylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cetylsulfonylamino)-3-phenyl-propanoyl]proline Formula: C30H50N2O5S MolecularWeight: 550.7934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-38(36,37)31-27(25-26-20-16-15-17-21-26)29(33)32-23-19-22-28(32)30(34)35/h15-17,20-21,27-28,31H,2-14,18-19,22-25H2,1H3,(H,34,35)