3-[[2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]cyclohexyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]cyclohexyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[4-[(1,3-dioxoisoindolin-2-yl)methyl]cyclohexyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[4-[(1,3-dioxo-2-isoindolyl)methyl]cyclohexyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-methyl-2-[4-(phthalimidomethyl)cyclohexyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H28N4O5/c1-30-22-11-10-18(25(34)28-13-12-23(32)33)14-21(22)29-24(30)17-8-6-16(7-9-17)15-31-26(35)19-4-2-3-5-20(19)27(31)36/h2-5,10-11,14,16-17H,6-9,12-13,15H2,1H3,(H,28,34)(H,32,33)