3-[3-[(4-cyanophenyl)carbonylamino]propanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[3-[(4-cyanophenyl)carbonylamino]propanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[(4-cyanobenzoyl)amino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-[(4-cyanobenzoyl)amino]propanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[3-[(4-cyanobenzoyl)amino]propanoylamino]propionic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C20H20N4O6S/c21-12-14-6-8-15(9-7-14)19(26)22-11-10-18(25)23-13-17(20(27)28)24-31(29,30)16-4-2-1-3-5-16/h1-9,17,24H,10-11,13H2,(H,22,26)(H,23,25)(H,27,28)