3-[[3-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[3-[[(cyanoamino)-cyclopropyliminomethyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-[3-[(N-cyano-N'-cyclopropylcarbamimidoyl)amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[3-[3-[(N-cyano-N'-cyclopropyl-amidino)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C(NC#N)NC2=CC=CC(=C2)C3=CC(=CC=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC1N=C(NC#N)NC2=CC=CC(=C2)C3=CC(=CC=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4S/c27-17-28-26(29-21-12-13-21)30-22-10-4-8-19(14-22)20-9-5-11-23(15-20)36(34,35)31-24(16-25(32)33)18-6-2-1-3-7-18/h1-11,14-15,21,24,31H,12-13,16H2,(H,32,33)(H2,28,29,30)