3-azanyl-2-oxidanyl-4-phenyl-butanoate; 4-methylbenzenesulfonate

Systemtic Name: 3-azanyl-2-oxidanyl-4-phenyl-butanoate; 4-methylbenzenesulfonate Openeye Name: 3-amino-2-hydroxy-4-phenyl-butanoate; 4-methylbenzenesulfonate CAS Name: 3-amino-2-hydroxy-4-phenylbutanoate; 4-methylbenzenesulfonate IUPAC Name: 3-amino-2-hydroxy-4-phenylbutanoate; 4-methylbenzenesulfonate Traditional Name: 3-amino-2-hydroxy-4-phenyl-butyrate tosylate Formula: C17H19NO6S-2 MolecularWeight: 365.40086

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO3.C7H8O3S/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,8-9,12H,6,11H2,(H,13,14);2-5H,1H3,(H,8,9,10)/p-2