5-(3H-benzimidazol-5-ylcarbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 5-(3H-benzimidazol-5-ylcarbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid Openeye Name: 5-(3H-benzimidazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 5-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-(3H-benzimidazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-(3H-benzimidazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]valeric acid Formula: C25H23ClN4O5S MolecularWeight: 526.99192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCNC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCNC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)O

InChI

InChI=1S/C25H23ClN4O5S/c26-19-8-3-16(4-9-19)17-5-10-20(11-6-17)36(34,35)30-22(25(32)33)2-1-13-27-24(31)18-7-12-21-23(14-18)29-15-28-21/h3-12,14-15,22,30H,1-2,13H2,(H,27,31)(H,28,29)(H,32,33)