3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-[(3-methylphenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-[(3-methylphenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(3-methylanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-[(3-methylphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C30H42N6O5 MolecularWeight: 566.69168

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)C4=CC(=NN4C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=NN4C)C(C)(C)C

InChI

InChI=1S/C30H42N6O5/c1-19-10-9-13-21(16-19)31-29(41)36-15-14-35(28(40)23-18-24(30(2,3)4)33-34(23)5)27(36)26(39)32-22(17-25(37)38)20-11-7-6-8-12-20/h9-10,13,16,18,20,22,27H,6-8,11-12,14-15,17H2,1-5H3,(H,31,41)(H,32,39)(H,37,38)