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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(4-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-methylbenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-(m-tolyl)-3-[(1-nicotinoyl-3-p-toluoyl-hexahydropyrimidine-2-carbonyl)amino]propionic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)C4=CN=CC=C4

InChI

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