3-cyclohexyl-3-[[1-(4-methylphenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(4-methylphenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(4-methylbenzoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-p-toluoyl-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H33N3O5S MolecularWeight: 511.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C27H33N3O5S/c1-18-9-11-20(12-10-18)27(35)30-14-13-29(23(31)16-21-8-5-15-36-21)26(30)25(34)28-22(17-24(32)33)19-6-3-2-4-7-19/h5,8-12,15,19,22,26H,2-4,6-7,13-14,16-17H2,1H3,(H,28,34)(H,32,33)