4-methylbenzenesulfonic acid; (phenylmethyl) 2-(2-azanylethanoylamino)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-(2-azanylethanoylamino)ethanoate Openeye Name: benzyl 2-[(2-aminoacetyl)amino]acetate; 4-methylbenzenesulfonic acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]acetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-[(2-aminoacetyl)amino]acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-(glycylamino)acetic acid benzyl ester; tosylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN

InChI

InChI=1S/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)