bis(phenylmethyl) (2R)-2-azanylbutanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: bis(phenylmethyl) (2R)-2-azanylbutanedioate; 4-methylbenzenesulfonic acid Openeye Name: dibenzyl (2R)-2-aminobutanedioate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-aminobutanedioic acid bis(phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: dibenzyl (2R)-2-aminobutanedioate; 4-methylbenzenesulfonic acid Traditional Name: (2R)-2-aminosuccinic acid dibenzyl ester; tosylic acid Formula: C25H27NO7S MolecularWeight: 485.54938

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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)CC(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C[C@H](C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m1./s1