tert-butyl (3S)-3-azanyl-3-pyridin-3-yl-propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl (3S)-3-azanyl-3-pyridin-3-yl-propanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl (3S)-3-amino-3-(3-pyridyl)propanoate; 4-methylbenzenesulfonic acid CAS Name: (3S)-3-amino-3-(3-pyridinyl)propanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl (3S)-3-amino-3-pyridin-3-ylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: (3S)-3-amino-3-(3-pyridyl)propionic acid tert-butyl ester; tosylic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2.C7H8O3S/c1-12(2,3)16-11(15)7-10(13)9-5-4-6-14-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8,10H,7,13H2,1-3H3;2-5H,1H3,(H,8,9,10)/t10-;/m0./s1