3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-isonicotinoyl-3-m-toluoyl-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=CC(=CC=C3)C)C(=O)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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