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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(4-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-methylbenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-mesyl-3-p-toluoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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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)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)S(=O)(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-16-8-10-18(11-9-16)24(31)26-12-5-13-27(34(3,32)33)23(26)22(30)25-20(15-21(28)29)19-7-4-6-17(2)14-19/h4,6-11,14,20,23H,5,12-13,15H2,1-3H3,(H,25,30)(H,28,29)