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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(4-methylphenyl)carbonyl-3-phenoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-methylbenzoyl)-3-phenoxycarbonyl-hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-phenoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbophenoxy-3-p-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=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)OC4=CC=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)OC4=CC=CC=C4

InChI

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