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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-phenoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-phenoxycarbonyl-hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-phenoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbophenoxy-3-m-toluoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C30H31N3O6 MolecularWeight: 529.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)OC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)OC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C30H31N3O6/c1-20-9-6-11-22(17-20)25(19-26(34)35)31-27(36)28-32(29(37)23-12-7-10-21(2)18-23)15-8-16-33(28)30(38)39-24-13-4-3-5-14-24/h3-7,9-14,17-18,25,28H,8,15-16,19H2,1-2H3,(H,31,36)(H,34,35)