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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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