1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthylsulfonylamino)propanoyl]proline Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC(=CC=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC(=CC=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H27N3O5S/c26-16-18-6-3-5-17(13-18)14-22(24(29)28-12-4-9-23(28)25(30)31)27-34(32,33)21-11-10-19-7-1-2-8-20(19)15-21/h1-3,5-8,10-11,13,15,22-23,27H,4,9,12,14,16,26H2,(H,30,31)