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

Systemtic Name: 4-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]butanoic acid CAS Name: 4-[[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]butanoic acid Traditional Name: 4-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]butyric acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-28(14-4-7-24(29)30)25(31)23(15-18-8-10-19(17-26)11-9-18)27-34(32,33)22-13-12-20-5-2-3-6-21(20)16-22/h2-3,5-6,8-13,16,23,27H,4,7,14-15H2,1H3,(H,29,30)