(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoate; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-6-(benzyloxycarbonylamino)hexanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-6-(benzyloxycarbonylamino)hexanoate; tosylic acid Formula: C21H27N2O7S- MolecularWeight: 451.51328

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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)NCCCCC(C(=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4.C7H8O3S/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18);2-5H,1H3,(H,8,9,10)/p-1/t12-;/m0./s1