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

Systemtic Name: 3-cyclohexyl-3-[[1-[(4-methoxyphenyl)carbamoyl]-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-[(4-methoxyphenyl)carbamoyl]-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(4-methoxyphenyl)carbamoyl]-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-[(4-methoxyphenyl)carbamoyl]-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C27H34N4O6S/c1-37-20-11-9-19(10-12-20)28-27(36)31-14-13-30(23(32)16-21-8-5-15-38-21)26(31)25(35)29-22(17-24(33)34)18-6-3-2-4-7-18/h5,8-12,15,18,22,26H,2-4,6-7,13-14,16-17H2,1H3,(H,28,36)(H,29,35)(H,33,34)