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

Systemtic Name: 3-(3-methylphenyl)-3-[(1-pyridin-3-ylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(m-tolyl)-3-[[1-(pyridine-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-[oxo(3-pyridinyl)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(pyridine-3-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-(m-tolyl)-3-[[1-nicotinoyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propionic acid Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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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)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4O6S2/c1-17-6-2-7-18(14-17)20(15-21(30)31)27-23(32)24-28(25(33)19-8-3-10-26-16-19)11-5-12-29(24)37(34,35)22-9-4-13-36-22/h2-4,6-10,13-14,16,20,24H,5,11-12,15H2,1H3,(H,27,32)(H,30,31)