[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-phenylmethoxy-pentan-2-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-phenylmethoxy-pentan-2-yl]azanium; 4-methylbenzenesulfonate Openeye Name: [(1S)-4-amino-1-benzyloxycarbonyl-4-oxo-butyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S)-4-amino-1-carbobenzoxy-4-keto-butyl]ammonium tosylate Formula: C19H24N2O6S MolecularWeight: 408.46866

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)C(CCC(=O)N)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)N)[NH3+]

InChI

InChI=1S/C12H16N2O3.C7H8O3S/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10H,6-8,13H2,(H2,14,15);2-5H,1H3,(H,8,9,10)/t10-;/m0./s1