2-azanyl-3-methyl-butanoic acid; 4-propan-2-ylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 4-propan-2-ylbenzenesulfonic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 4-isopropylbenzenesulfonic acid CAS Name: 2-amino-3-methylbutanoic acid; 4-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 4-propan-2-ylbenzenesulfonic acid Traditional Name: 2-amino-3-methyl-butyric acid; 4-isopropylbesylic acid Formula: C14H23NO5S MolecularWeight: 317.40112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

InChI

InChI=1S/C9H12O3S.C5H11NO2/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-3(2)4(6)5(7)8/h3-7H,1-2H3,(H,10,11,12);3-4H,6H2,1-2H3,(H,7,8)