3-[5-(4-cyanophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[5-(4-cyanophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[5-(4-cyanophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[5-(4-cyanophenyl)-1-oxopentyl]amino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[5-(4-cyanophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[5-(4-cyanophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propionic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c1-31-19-7-3-4-8-20(19)32(29,30)25-18(22(27)28)15-24-21(26)9-5-2-6-16-10-12-17(14-23)13-11-16/h3-4,7-8,10-13,18,25H,2,5-6,9,15H2,1H3,(H,24,26)(H,27,28)