tert-butyl (3S)-3-azanyl-3-(furan-2-yl)propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl (3S)-3-azanyl-3-(furan-2-yl)propanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl (3S)-3-amino-3-(2-furyl)propanoate; 4-methylbenzenesulfonic acid CAS Name: (3S)-3-amino-3-(2-furanyl)propanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl (3S)-3-amino-3-(furan-2-yl)propanoate; 4-methylbenzenesulfonic acid Traditional Name: (3S)-3-amino-3-(2-furyl)propionic acid tert-butyl ester; tosylic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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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=CC=CO1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)C[C@@H](C1=CC=CO1)N

InChI

InChI=1S/C11H17NO3.C7H8O3S/c1-11(2,3)15-10(13)7-8(12)9-5-4-6-14-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8H,7,12H2,1-3H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1