methyl (2R,3S)-3-azanyl-4-cyclobutyl-2-oxidanyl-butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl (2R,3S)-3-azanyl-4-cyclobutyl-2-oxidanyl-butanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl (2R,3S)-3-amino-4-cyclobutyl-2-hydroxy-butanoate; 4-methylbenzenesulfonic acid CAS Name: (2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl (2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoate; 4-methylbenzenesulfonic acid Traditional Name: (2R,3S)-3-amino-4-cyclobutyl-2-hydroxy-butyric acid methyl ester; tosylic acid Formula: C16H25NO6S MolecularWeight: 359.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C(C(CC1CCC1)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)[C@@H]([C@H](CC1CCC1)N)O

InChI

InChI=1S/C9H17NO3.C7H8O3S/c1-13-9(12)8(11)7(10)5-6-3-2-4-6;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,11H,2-5,10H2,1H3;2-5H,1H3,(H,8,9,10)/t7-,8+;/m0./s1