5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophen-2-ylcarbonylamino)benzimidazol-1-yl]pentanoic acid

Systemtic Name: 5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophen-2-ylcarbonylamino)benzimidazol-1-yl]pentanoic acid Openeye Name: 5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid CAS Name: 5-[5-[[cyclohexyl(methyl)amino]-oxomethyl]-2-[[oxo(thiophen-2-yl)methyl]amino]-1-benzimidazolyl]pentanoic acid IUPAC Name: 5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid Traditional Name: 5-[5-[cyclohexyl(methyl)carbamoyl]-2-(2-thenoylamino)benzimidazol-1-yl]valeric acid Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCCC(=O)O

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCCC(=O)O

InChI

InChI=1S/C25H30N4O4S/c1-28(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)26-25(27-23(32)21-10-7-15-34-21)29(20)14-6-5-11-22(30)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H,30,31)(H,26,27,32)