4-methylbenzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-methyl-butanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-methyl-butanoate Openeye Name: benzyl (2R)-2-amino-3-methyl-butanoate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-amino-3-methylbutanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl (2R)-2-amino-3-methylbutanoate; 4-methylbenzenesulfonic acid Traditional Name: (2R)-2-amino-3-methyl-butyric acid benzyl ester; tosylic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[C@H](C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1