tert-butyl (3S)-3-azanyl-4,4-dimethyl-pentanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl (3S)-3-azanyl-4,4-dimethyl-pentanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl (3S)-3-amino-4,4-dimethyl-pentanoate; 4-methylbenzenesulfonic acid CAS Name: (3S)-3-amino-4,4-dimethylpentanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl (3S)-3-amino-4,4-dimethylpentanoate; 4-methylbenzenesulfonic acid Traditional Name: (3S)-3-amino-4,4-dimethyl-valeric acid tert-butyl ester; tosylic acid Formula: C18H31NO5S MolecularWeight: 373.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)[C@H](CC(=O)OC(C)(C)C)N

InChI

InChI=1S/C11H23NO2.C7H8O3S/c1-10(2,3)8(12)7-9(13)14-11(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h8H,7,12H2,1-6H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1