6-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-1-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-1-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-1-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-hydroxyethyl]-4,5-dihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid Traditional Name: 6-[2-[[2-amino-4-(methylthio)butanoyl]amino]-1-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C13H24N2O7S MolecularWeight: 352.40386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(C1C(C(CC(O1)C(=O)O)O)O)O)N

Isomeric SMILES

CSCCC(C(=O)NCC(C1C(C(CC(O1)C(=O)O)O)O)O)N

InChI

InChI=1S/C13H24N2O7S/c1-23-3-2-6(14)12(19)15-5-8(17)11-10(18)7(16)4-9(22-11)13(20)21/h6-11,16-18H,2-5,14H2,1H3,(H,15,19)(H,20,21)