2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]propanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]propanoic acid Openeye Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]propanoic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]propanoic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]propanoic acid Traditional Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]propionic acid Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)O)N(C)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H23N3O5S/c1-16(24(29)30)27(2)23(28)22(13-17-7-9-18(15-25)10-8-17)26-33(31,32)21-12-11-19-5-3-4-6-20(19)14-21/h3-12,14,16,22,26H,13H2,1-2H3,(H,29,30)