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

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylanilino)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H34N4O5S MolecularWeight: 526.64766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O5S/c1-18-7-5-10-20(15-18)28-27(36)31-13-12-30(23(32)16-21-11-6-14-37-21)26(31)25(35)29-22(17-24(33)34)19-8-3-2-4-9-19/h5-7,10-11,14-15,19,22,26H,2-4,8-9,12-13,16-17H2,1H3,(H,28,36)(H,29,35)(H,33,34)