2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid CAS Name: 2-methyl-2-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid Traditional Name: 2-methyl-2-[[5-[(methylthio)methyl]-2-furoyl]amino]valeric acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=CC=C(O1)CSC

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=CC=C(O1)CSC

InChI

InChI=1S/C13H19NO4S/c1-4-7-13(2,12(16)17)14-11(15)10-6-5-9(18-10)8-19-3/h5-6H,4,7-8H2,1-3H3,(H,14,15)(H,16,17)