4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-azanyl-4-methyl-pentanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-azanyl-4-methyl-pentanoate Openeye Name: allyl (2S)-2-amino-4-methyl-pentanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-amino-4-methylpentanoate Traditional Name: (2S)-2-amino-4-methyl-valeric acid allyl ester; tosylic acid Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2.C7H8O3S/c1-4-5-12-9(11)8(10)6-7(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1