3-(3-methylphenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(m-tolyl)-3-[[1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-isonicotinoyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)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=CC=NC=C4

Isomeric SMILES

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

InChI

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