2-azanyl-3-methyl-pentanoic acid; 2-ethylbenzenesulfonate

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; 2-ethylbenzenesulfonate Openeye Name: 2-amino-3-methyl-pentanoic acid; 2-ethylbenzenesulfonate CAS Name: 2-amino-3-methylpentanoic acid; 2-ethylbenzenesulfonate IUPAC Name: 2-amino-3-methylpentanoic acid; 2-ethylbenzenesulfonate Traditional Name: 2-amino-3-methyl-valeric acid; 2-ethylbesylate Formula: C14H22NO5S- MolecularWeight: 316.39318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)[O-].CCC(C)C(C(=O)O)N

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)[O-].CCC(C)C(C(=O)O)N

InChI

InChI=1S/C8H10O3S.C6H13NO2/c1-2-7-5-3-4-6-8(7)12(9,10)11;1-3-4(2)5(7)6(8)9/h3-6H,2H2,1H3,(H,9,10,11);4-5H,3,7H2,1-2H3,(H,8,9)/p-1