2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanesulfonic acid Openeye Name: 2-[(2-amino-4-methylsulfanyl-butanoyl)amino]ethanesulfonic acid CAS Name: 2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2-amino-4-methylsulfanylbutanoyl)amino]ethanesulfonic acid Traditional Name: 2-[[2-amino-4-(methylthio)butanoyl]amino]ethanesulfonic acid Formula: C7H16N2O4S2 MolecularWeight: 256.34294

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCS(=O)(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NCCS(=O)(=O)O)N

InChI

InChI=1S/C7H16N2O4S2/c1-14-4-2-6(8)7(10)9-3-5-15(11,12)13/h6H,2-5,8H2,1H3,(H,9,10)(H,11,12,13)