3-(3-methylphenyl)-3-[[1-(oxolan-2-ylcarbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(oxolan-2-ylcarbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(m-tolyl)-3-[[1-(tetrahydrofuran-2-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-[oxo(2-oxolanyl)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(oxolane-2-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-(m-tolyl)-3-[[1-(tetrahydrofuran-2-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propionic acid Formula: C24H29N3O7S2 MolecularWeight: 535.63296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4CCCO4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4CCCO4

InChI

InChI=1S/C24H29N3O7S2/c1-16-6-2-7-17(14-16)18(15-20(28)29)25-22(30)23-26(24(31)19-8-3-12-34-19)10-5-11-27(23)36(32,33)21-9-4-13-35-21/h2,4,6-7,9,13-14,18-19,23H,3,5,8,10-12,15H2,1H3,(H,25,30)(H,28,29)