4-methylbenzenesulfonic acid; prop-2-enyl (2S,3S)-2-acetamido-3-methyl-pentanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S,3S)-2-acetamido-3-methyl-pentanoate Openeye Name: allyl (2S,3S)-2-acetamido-3-methyl-pentanoate; 4-methylbenzenesulfonic acid CAS Name: (2S,3S)-2-acetamido-3-methylpentanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S,3S)-2-acetamido-3-methylpentanoate Traditional Name: (2S,3S)-2-acetamido-3-methyl-valeric acid allyl ester; tosylic acid Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC=C)NC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO3.C7H8O3S/c1-5-7-15-11(14)10(8(3)6-2)12-9(4)13;1-6-2-4-7(5-3-6)11(8,9)10/h5,8,10H,1,6-7H2,2-4H3,(H,12,13);2-5H,1H3,(H,8,9,10)/t8-,10-;/m0./s1