3-[(2-aminocarbonyl-3-methyl-butyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-aminocarbonyl-3-methyl-butyl)amino]propane-1-sulfonic acid Openeye Name: 3-[(2-carbamoyl-3-methyl-butyl)amino]propane-1-sulfonic acid CAS Name: 3-[(2-carbamoyl-3-methylbutyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(2-carbamoyl-3-methylbutyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2-carbamoyl-3-methyl-butyl)amino]propane-1-sulfonic acid Formula: C9H20N2O4S MolecularWeight: 252.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCCCS(=O)(=O)O)C(=O)N

Isomeric SMILES

CC(C)C(CNCCCS(=O)(=O)O)C(=O)N

InChI

InChI=1S/C9H20N2O4S/c1-7(2)8(9(10)12)6-11-4-3-5-16(13,14)15/h7-8,11H,3-6H2,1-2H3,(H2,10,12)(H,13,14,15)