(2S)-2-azanyl-3-naphthalen-2-yl-propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-3-naphthalen-2-yl-propanoate; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-3-(2-naphthyl)propanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-(2-naphthalenyl)propanoate; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-3-naphthalen-2-ylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-3-(2-naphthyl)propionate; tosylic acid Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)CC(C(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)[O-])N

InChI

InChI=1S/C13H13NO2.C7H8O3S/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,12H,8,14H2,(H,15,16);2-5H,1H3,(H,8,9,10)/p-1/t12-;/m0./s1