2-azanyl-3-[4-oxidanyl-2-(phenylmethyl)phenyl]propanoic acid; 4-methylbenzenesulfonate

Systemtic Name: 2-azanyl-3-[4-oxidanyl-2-(phenylmethyl)phenyl]propanoic acid; 4-methylbenzenesulfonate Openeye Name: 2-amino-3-(2-benzyl-4-hydroxy-phenyl)propanoic acid; 4-methylbenzenesulfonate CAS Name: 2-amino-3-[4-hydroxy-2-(phenylmethyl)phenyl]propanoic acid; 4-methylbenzenesulfonate IUPAC Name: 2-amino-3-(2-benzyl-4-hydroxyphenyl)propanoic acid; 4-methylbenzenesulfonate Traditional Name: 2-amino-3-(2-benzyl-4-hydroxy-phenyl)propionic acid tosylate Formula: C23H24NO6S- MolecularWeight: 442.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)CC(C(=O)O)N

InChI

InChI=1S/C16H17NO3.C7H8O3S/c17-15(16(19)20)10-12-6-7-14(18)9-13(12)8-11-4-2-1-3-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,9,15,18H,8,10,17H2,(H,19,20);2-5H,1H3,(H,8,9,10)/p-1