3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(6-chloronicotinoyl)-3-p-toluoyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O5/c1-17-7-9-19(10-8-17)26(36)31-13-14-32(27(37)20-11-12-22(28)29-16-20)25(31)24(35)30-21(15-23(33)34)18-5-3-2-4-6-18/h7-12,16,18,21,25H,2-6,13-15H2,1H3,(H,30,35)(H,33,34)