(2S)-3-methyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-(p-tolylsulfonylcarbamoylamino)butanoic acid CAS Name: (2S)-3-methyl-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-(tosylcarbamoylamino)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-8(2)11(12(16)17)14-13(18)15-21(19,20)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1