(2R,3R)-2-azanyl-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: (2R,3R)-2-azanyl-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid Openeye Name: (2R,3R)-2-amino-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid CAS Name: (2R,3R)-2-amino-3-methylpentanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: (2R,3R)-2-amino-3-methylpentanoic acid; 4-methylbenzenesulfonic acid Traditional Name: (2R,3R)-2-amino-3-methyl-valeric acid; tosylic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H13NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4(2)5(7)6(8)9/h2-5H,1H3,(H,8,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t;4-,5-/m.1/s1