bis(phenylmethyl) (2S)-2-azanylhexanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: bis(phenylmethyl) (2S)-2-azanylhexanedioate; 4-methylbenzenesulfonic acid Openeye Name: dibenzyl (2S)-2-aminohexanedioate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-aminohexanedioic acid bis(phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: dibenzyl (2S)-2-aminohexanedioate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-aminoadipic acid dibenzyl ester; tosylic acid Formula: C27H31NO7S MolecularWeight: 513.60254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H23NO4.C7H8O3S/c21-18(20(23)25-15-17-10-5-2-6-11-17)12-7-13-19(22)24-14-16-8-3-1-4-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-11,18H,7,12-15,21H2;2-5H,1H3,(H,8,9,10)/t18-;/m0./s1