2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-methoxycyclohexyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-methoxy-cyclohexanecarbonyl]amino]-4-methyl-valeric acid Formula: C15H27NO4S MolecularWeight: 317.44418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1(CCC(CC1)OC)CS

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1(CCC(CC1)OC)CS

InChI

InChI=1S/C15H27NO4S/c1-10(2)8-12(13(17)18)16-14(19)15(9-21)6-4-11(20-3)5-7-15/h10-12,21H,4-9H2,1-3H3,(H,16,19)(H,17,18)