3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid

Systemtic Name: 3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid Openeye Name: 3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridyl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid CAS Name: 3-[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinyl]-2-[[oxo-(4-phenylanilino)methyl]amino]propanoic acid IUPAC Name: 3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid Traditional Name: 3-[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridyl]-2-[(4-phenylphenyl)carbamoylamino]propionic acid Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)NC(CC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)NC(CC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C29H25N5O3S/c35-27(36)26(32-28(37)31-21-15-13-20(14-16-21)19-7-2-1-3-8-19)17-22-9-6-10-23(30-22)18-38-29-33-24-11-4-5-12-25(24)34-29/h1-16,26H,17-18H2,(H,33,34)(H,35,36)(H2,31,32,37)