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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S/c1-27(13-12-23(28)29)24(30)22(14-17-6-8-18(16-25)9-7-17)26-33(31,32)21-11-10-19-4-2-3-5-20(19)15-21/h2-11,15,22,26H,12-14H2,1H3,(H,28,29)