2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]ethanesulfonic acid Formula: C9H19NO4S2 MolecularWeight: 269.38146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(C)CC(CS)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C9H19NO4S2/c1-7(2)5-8(6-15)9(11)10-3-4-16(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,10,11)(H,12,13,14)