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

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(6-chloronicotinoyl)-3-m-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=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O5/c1-17-6-5-9-19(14-17)26(36)31-12-13-32(27(37)20-10-11-22(28)29-16-20)25(31)24(35)30-21(15-23(33)34)18-7-3-2-4-8-18/h5-6,9-11,14,16,18,21,25H,2-4,7-8,12-13,15H2,1H3,(H,30,35)(H,33,34)