3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]propanoic acid CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]propanoic acid Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]propionic acid Formula: C26H28N4O2S2 MolecularWeight: 492.65612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCC(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S2/c1-19-23(18-34-26-28-21-9-5-6-10-22(21)29-26)27-13-11-24(19)33-16-15-30(14-12-25(31)32)17-20-7-3-2-4-8-20/h2-11,13H,12,14-18H2,1H3,(H,28,29)(H,31,32)