2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-[4,5,6,7-tetrakis(fluoranyl)-3-methyl-1-benzofuran-2-yl]propanoic acid

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-[4,5,6,7-tetrakis(fluoranyl)-3-methyl-1-benzofuran-2-yl]propanoic acid Openeye Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4,5,6,7-tetrafluoro-3-methyl-benzofuran-2-yl)propanoic acid CAS Name: 2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-(4,5,6,7-tetrafluoro-3-methyl-2-benzofuranyl)propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4,5,6,7-tetrafluoro-3-methyl-1-benzofuran-2-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4,5,6,7-tetrafluoro-3-methyl-benzofuran-2-yl)propionic acid Formula: C24H28F4N2O5S MolecularWeight: 532.548133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C(=C2F)F)F)F)CC(C(=O)O)NC(=O)C3(CCCC3)NC(=O)C(CC(C)C)S

Isomeric SMILES

CC1=C(OC2=C1C(=C(C(=C2F)F)F)F)CC(C(=O)O)NC(=O)C3(CCCC3)NC(=O)C(CC(C)C)S

InChI

InChI=1S/C24H28F4N2O5S/c1-10(2)8-14(36)21(31)30-24(6-4-5-7-24)23(34)29-12(22(32)33)9-13-11(3)15-16(25)17(26)18(27)19(28)20(15)35-13/h10,12,14,36H,4-9H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)