3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-m-toluoyl-3-nicotinoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)C3=CN=CC=C3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)C3=CN=CC=C3)C(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C29H30N4O5/c1-19-7-3-9-21(15-19)24(17-25(34)35)31-26(36)27-32(28(37)22-10-4-8-20(2)16-22)13-6-14-33(27)29(38)23-11-5-12-30-18-23/h3-5,7-12,15-16,18,24,27H,6,13-14,17H2,1-2H3,(H,31,36)(H,34,35)