tert-butyl 2-azanyl-3-phenyl-propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl 2-azanyl-3-phenyl-propanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl 2-amino-3-phenyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-phenylpropanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl 2-amino-3-phenylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-phenyl-propionic acid tert-butyl ester; tosylic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,11H,9,14H2,1-3H3;2-5H,1H3,(H,8,9,10)