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

Systemtic Name: 3-[[1-methoxycarbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-methoxycarbonyl-3-(3-methylbenzoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-methoxycarbonyl-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-methoxycarbonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbomethoxy-3-m-toluoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6/c1-16-7-4-9-18(13-16)20(15-21(29)30)26-22(31)23-27(11-6-12-28(23)25(33)34-3)24(32)19-10-5-8-17(2)14-19/h4-5,7-10,13-14,20,23H,6,11-12,15H2,1-3H3,(H,26,31)(H,29,30)