2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-[(2-aminoacetyl)amino]-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]-4-(methylthio)butanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-(glycylamino)-4-(methylthio)butyric acid; tosylic acid Formula: C14H22N2O6S2 MolecularWeight: 378.46428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CSCCC(C(=O)O)NC(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CSCCC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C7H14N2O3S.C7H8O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8;1-6-2-4-7(5-3-6)11(8,9)10/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);2-5H,1H3,(H,8,9,10)