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

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-isonicotinoyl-3-m-anisoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C29H30N4O6 MolecularWeight: 530.5717

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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)OC)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)OC)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C29H30N4O6/c1-19-6-3-7-21(16-19)24(18-25(34)35)31-26(36)27-32(28(37)20-10-12-30-13-11-20)14-5-15-33(27)29(38)22-8-4-9-23(17-22)39-2/h3-4,6-13,16-17,24,27H,5,14-15,18H2,1-2H3,(H,31,36)(H,34,35)