2-azanyl-3-methyl-butanoic acid; 4-propylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 4-propylbenzenesulfonic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 4-propylbenzenesulfonic acid CAS Name: 2-amino-3-methylbutanoic acid; 4-propylbenzenesulfonic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 4-propylbenzenesulfonic acid Traditional Name: 2-amino-3-methyl-butyric acid; 4-propylbesylic acid Formula: C14H23NO5S MolecularWeight: 317.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

InChI

InChI=1S/C9H12O3S.C5H11NO2/c1-2-3-8-4-6-9(7-5-8)13(10,11)12;1-3(2)4(6)5(7)8/h4-7H,2-3H2,1H3,(H,10,11,12);3-4H,6H2,1-2H3,(H,7,8)