2-azanyl-4-methyl-pentanoic acid; benzenesulfonic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; benzenesulfonic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; benzenesulfonic acid CAS Name: 2-amino-4-methylpentanoic acid; benzenesulfonic acid IUPAC Name: 2-amino-4-methylpentanoic acid; benzenesulfonic acid Traditional Name: 2-amino-4-methyl-valeric acid; besylic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO2.C6H6O3S/c1-4(2)3-5(7)6(8)9;7-10(8,9)6-4-2-1-3-5-6/h4-5H,3,7H2,1-2H3,(H,8,9);1-5H,(H,7,8,9)