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

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-phenoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(3-methoxybenzoyl)-3-phenoxycarbonyl-hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-phenoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbophenoxy-3-m-anisoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C30H31N3O7 MolecularWeight: 545.58304

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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)OC

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)OC

InChI

InChI=1S/C30H31N3O7/c1-20-9-6-10-21(17-20)25(19-26(34)35)31-27(36)28-32(29(37)22-11-7-14-24(18-22)39-2)15-8-16-33(28)30(38)40-23-12-4-3-5-13-23/h3-7,9-14,17-18,25,28H,8,15-16,19H2,1-2H3,(H,31,36)(H,34,35)